انتشار مقالات پانزدهمین سمینار شیمی فیزیک ایران

1. Tautomerism and Dichroism in Anisotropic Media

2. Nanoporous Materials and Its Applications

3. Dynamics and Diffusion of N۲ and O۲ in Zeolite Li-LSX Studied by Molecular Dynamics Simulations

4. Vapor-liquid interfacial properties of ionic liquids

5. Molecular Dynamics Simulation of an Amine-Functionalized Imidazolium-Based Ionic Liquid

6. Molecular Dynamics Simulations Studies of surfactant -Wrapped Single -Walled Carbon Nanotubes surface

7. Study of the Imidazolium-Based [Tf۲N–] Ionic Liquids by Molecular Dynamics Simulations

8. Interaction of Neutral and Ionic Metal Clusters with Noble Gas Atoms;Theoretical Investigation

9. Theoretical investigation of the effects of solvent on the ۱۱Bu ۲۱Ag internal conversion decay in octatetraene

10. Interaction of Highly Reactive Molecules C۴H۴, C(CH۲)۳ and (C۳H۳)- with Ƞ۵-Cyclopentadienyl Metal Complexes (Ƞ۵-C۵H۵)M. A Theoretical Study

11. Calculation of Absorption and Fluorescence Spectra of Large Polyatomic Molecules

12. Potential Energy Surfaces of He-CS۲, Ne-CS۲ and Ar-CS۲ Dimers : Second Virial Coefficient and Vibrational Energy Levels

13. Effect of copper oxide formation on the kinetics and mechanism of oxygen reduction reaction on copper

14. Electrochemical conversion of carbon dioxide to valuable products

15. Study of Platinum loading effect on performance of GDE for Glucose Oxidation

16. Effect of Activation Procedures on the Performance of H۲/ Air Proton Exchange Membrane Fuel Cell (PEMFC)

17. Catalytic Decomposition of Natural Gas into the Carbon and Hydrogen

18. Rapid Photogeneration of Silver Nanoparticles in Ethanolic Solution Using a Triblock Copolymer: A Kinetic Study

19. The Aggregation Behavior of Dodecyl Betainate Gemini Surfactant using Viscosimetry and Dynamic Light Scattering

20. Ruthenium Nanoparticles Supported on the Periodic MesoporousOrganosilica as Highly Effective and Recyclable Catalyst for the Aerobic Oxidation of Alcohols

21. Scratch Resistant Sol-Gel based Nanocomposite Films on Polycarbonate: DMTA, Small Angle X-ray Scattering and FTIR Studies

22. Nanoemulsion and Microemulsion Formulation for the Solubility Enhancement of valsartan

23. Nonequilibrium electronic transport properties of Diphenyl ethynylene: Effect of anchoring groups

24. Phosphonate monoesters as carboxylate-like linkers for metal organic frameworks

25. Local Depolarization in Hydrophobic and Hydrophilic Ionic Liquids/Water Mixtures: Car-Parrinello and Classical Molecular Dynamics Simulation

26. Recovery of formic acid from an aqueous solution by ۱- decanol at ۳۲۳.۱۵K

27. Osmotic and activity coefficient of L –Serine in aqueous solutions of ionic liquid[cmmim][Cl] at T=۲۹۸.۱۵K

28. Kinetic study of removal Tylosin from contaminated water by persulfate in the presence of immobilized silver nanoparticle

29. Calculation of Transport Properties of Fluids Using MET and Appropriate Equations of State

30. Kinetic study of uracil tautomerization in the gas phase

31. High Solar Photocatalytic Degradation of Azo Dye Reactive Black ۵ (RB۵)by Bismuth Ferrite Synthesized via Ultrasound Method

32. Twinkling star: A simple chemical oscillator

33. A novel method for prediction of thermal decomposition kinetics in different temperature profiles

34. Kinetic study ofreaction of ethane with radical of thrichloromethane

35. Time-dependent charge reorganization of nonstationary π systems

36. PARAMATICA: A MATHEMATICA Package for Biomolecular Force Field Development

37. QTAIM ۶-center Delocalization Effect of 􀊌 Components of Electron Density on Local Aromaticity of Boron Nitride Sheets

38. Mapping electron dynamics in molecular H۲ using HHG time profiles

39. Computational investigation on the regioselective Sonogashira synthesis of ۶-(۴-nitrobenzyl)-۲-phenylthiazolo[۳,۲-b]۱,۲,۴ triazole

40. Interactions of Coinage Metal Clusters with Histidine and Their Effects on Histidine Acidity; Theoretical Investigation

41. Protonated Phenol :Electronic Properties

42. Physical chemistry: from theory to application, from laboratory to industry

43. Corrosion and scale inhibition of admiralty brass in cooling water system by aminotris-(methylenphosphonic) acid

44. Electrochemical Investigation to Evaluate the Inhibition Effect of Schiff Base (Salpr) Against Magnesium Corrosion in Acidic Media

45. Non-isothermal degradation kinetics of Un-irradiated and High Energy Protons Irradiated Polyvinyl Butyral

46. Cylindrical DBD Plasma Reactor: Cracking of Petroleum Fuel Oil into Light Olefins

47. Methane conversion to Hydrogen and Higher Hydrocarbons by Kilohertz pulsed plasma

48. Conversion of Methanol to Light Olefins over Nanostructured Ce-MnSAPO-۳۴ Catalyst Synthesized via Ultrasound Method

49. Energetic of single-walled armchair, zigzag, and chiral silicon nanotube and investigate of the effect of stress on melting point with use molecular dynamic (MD) simulation

50. Experimental investigation on thermophysical properties of functionalized TiO۲-water nanofluids

51. Chemical Oxidative Cutting of Multiwalled Carbon Nanotubes Arrays with Electromagnetic Waves

52. Thermal conductivity investigation for CNT based polymer nanocomposites with effective structural parameters

53. Formation of Hydroxyapatite-Titania Nanostructured Bio-Ceramic Films by Plasma Electrolyte Oxidation

54. Preparation and Characterization of Micro/Nanocapsulescontaining TungOil and its Use in Self-Healing Coatings

55. Structuraland magnetic properties of CoFe۲-xAlxO۴ nanoparticles

56. Synthesis of NiMo Based Nanocatalysts over Al۲O۳ and ZrO۲ via Impregnation Method Used in Hydrodesulphurization Process

57. Molecular Dynamics Simulation of Inhibition of Orotidine ۵’-Monophosphate Decarboxylase Protein by ۶-Hydroxy-UMP (BMP) Drug

58. Partial molar entropy in nonextensive thermodynamics framework

59. Experimental Investigation on the Solubility of CO۲ and H۲S in Some imidazolium-based Ionic Liquids

60. Ionic association and solvation of the ionic liquid ۱-hexyl-۳ methylimidazolium chloride in molecular solvents revealed by volumetry and acoustic measurements

61. Calculation of radial distribution functions for methane by wavelets in different temperatures and comparison with computer simulation results

62. Dyeing equilibrium parameters of polypropylene/Clay composite fibers with disperse dyes

63. Complexity of Density Dependencies of Thermal- and Internal- Pressure Compared to that of Total Pressure

64. Modeling and experimental verification of the curing kinetics of an Epoxy/Polyaminoamide/Nano-glassflake systemby DSC

65. First-principles study of Li adsorption in functionalized carbon nanotubes

66. Viscometric study on the compatibility of poly(vinyl acetate)-poly(vinyl pyrrolidone) in solution

67. Mass Calibration of Time of Flight Mass Spectrometer Using Alkali Salts

68. Electron ( Spin & Charge ) and Nanoelectronics

69. Quantum chemical studies on molecular structural conformations,energetic of methyl (methylene) silane

70. A new method for exploring alien life

71. Evolution of the free electron wavepacket near a nucleus

72. Electrostatic Properties of Halogen Bonds

73. Calculation of Rovibronic Transition Intensities for Diatomic Molecules

74. An accurate CHARMM compatible force field for bisphosphonate pharmaceuticals

75. Sum of Products Potential Energies Via Higher Order Singular Value Decomposition

76. Theoretical studies of decomposition and reactivity of the C۳F۷OCH۲O radical

77. Ab initio study of the effect of the cluster size on the chemisorptions of NTCDA on the Ag(۱۱۰) surface

78. Calculation the structural parameters and DOS of TaB۲ compound with p۶/mmm space group using pseudopotential method

79. systems up to high temperature and high pressure conditions

80. An electrochemical investigation of the effect of nano sized TiO۲particales on cathodicdisbonding of epoxy-polyaniline coated mild steel

81. Er۳+-PVC Membrane Sensor Based on ۳-hydroxy-N'-((pyridin-۲-yl)methylene)naphthalene-۲-carbohydrazide

82. Modeling of Methane and Ethane mixture Gas Hydrate Formation kinetics based on Non-equilibrium Thermodynamics

83. Experimental Study of theEffect of Hydrophilic Silica Nanoparticles on Foam Performance in Alkaline-Surfactant-Gas flooding

84. A Comparative Synthesis of Ni-Cu Oxides over Al۲O۳-ZrO۲ Nanocomposite via Impregnation and Sol-Gel Methods Used for CH۴/CO۲ Reforming

85. Co and Cu Doped Ni/Al۲O۳-ZrO۲ Nanocatalysts Treated by Non-Thermal Plasma and Used for Dry Reforming of Methane

86. Surface tension prediction of binary mixtures by using scaled particle theory coupled with one fluid theory

87. UV/Vis Spectral & Viscosity Investigation of Interaction Bis ۵-Phenyl Azo Salicyl aldehyde Ethylene di imin Cobalt (II) With Calf Thymus Deoxy Ribonucleic Acid

88. Prediction of the rmodynamic prope rties of et hers and glycol ethers using a group contr ibution m ethod

89. Inv estigation of thermodynamic properties of hydro carbons using an ext ended LJ potential-based Eo S at high temperature-high pressure con ditions

90. Extrac tion of aro matic co mpounds from hydr ocarbon fuels by ionic liquids: a quantum chemical study

91. Complexat ion of tri oxide tung sten and p-sulfonat ocalix[۴]a rene In aqueous solution

92. A New Equation of State f or Alcohols

93. viscometric st udies of b inary mix tures of formamid e with alkan-۲-ols

94. Thermodynamic study of molec ularinter actions in binary s ystems

95. Kineti c Studies for Adsor ption of Azure B Dy e over Synthesized Fe-ZSM-۵ and Co-ZSM -۵ Nanoz eolites

96. Mixed ionic surfactant system for stable susp ension of multiwall ed carbon nanotubes

97. N,N'-bis(۲-hydr oxy-۴-methoxysalic ylidene)- e thylenediamin by reflectance an d transmittance spectra.

98. Determinatio n of the optical con stants Pd(II)complex of Schiff base ۶,۶ƍ-dimethoxy-۲,۲ƍ-[hexa ne-۱,۶-di ylbis(nitrilodimethy lidyne)]diphenolby reflectanceand transmitta ncespectra.

99. Visc ometery and Spectral Investigation on Interaction of Cu(II)Salen Co mplex and Bovine Serum Alb umin: A Thermod ynamic ap proach

100. T he study of electronic structu re of some organic nanoconductors

101. Activity coef ficients o f major ions in Lake Urmia b rine at different temp eratures

102. The apparent heat capacity and enthalpy of lake Urmia brine in different temperatures by using Pitzer equations

103. Decolorization and deg radation of Reactiv e Orange۷ pollutan t by using oz onation method

104. Liq uid + Liquid) Equilibria for (Water + Acetic aci d + Xylen e or M-xyle ne or O- xylene or P- xylene ): Experim ental Da ta and Pr ediction

105. Using artificial neural net work top redict the specific v olume of polymeri c High temperat ure and h igh pressu re densit y predicti on of hydr ocarbons using artificial neural network method

106. Physicoch emical evaluation of Microemulsion fo rmulations for Water+Ipm+Tween ۸۰+Isobutanol Pseudo-ternary System

107. Investigation of Protein Albumin Partition ing in Aqueous Two- Phase Systems Containi ng Polyetylene Glycol and Ino rganic Salts

108. Solubility product of salts in Lake Urmia brine at different temperatures

109. Synergism/antag onism stu dies between antifo am-antihydrate us ing surface tension technique

110. Investigation of surface p roperties of ionic liq uid/alcohol binary systems at various temperature

111. Non-isothermal Cry stallizatio n Kinetics Study of Biodegradable Polyethylene Azelate/SiO۲ Nanocompo site

112. Compariso n of H۲, C H۴ and C O۲ gas adsorption o n Boron N itride Nanoscrolls

113. Effect of surfac tant solutions on m ethanol s ynthesis c atalyst preparation

114. Surf ace protec tion of copper using organic compoun ds in acid ic media

115. Corrosion inhibition of brass by two synthesi zed compo unds in F ormic acid

116. The i nvestigati on of ۳-m ethyl ۴-[۱- (۴- meth oxy phenyl) methylidene] -۵-iso oxazolone and ۳- acidi c media.methyl ۴-[۱- (۴- dimethyl. ami no) phenyl] -۵- iso ox azolone as inhibitors on Mil d steel in a cidic med ia.

117. The i nvestigati on of ۳-m ethyl ۴-[۱- (۴- meth oxy phenyl) methylidene] -۵-iso oxazolone and ۳-m ethyl ۴-[۱- (۴- dimet hyl amin o) phenyl ] -۵- iso oxazo lone as in hibitors o n Mild st eel in acidic media.

118. DFT and Experimental vibrartion al analys is of Ofloxacin by Quantum liquid DFT calculation

119. An investiga tion of Langmuir, F rendlich, and Tem kin isothe rms for neodymium rem oval by modificati on of polyethylene terephthalate (PET) fibers from environment al samples

120. Viscosity dev iationof b inary mix tures of Dimethyl Carbonate and a homologous series of ۲- Al kanols at different temperatures

121. Investigating th e impact of the onion change on the interaction p otential of ۱-buty l-۳-meth ylimidazol ium ionic liquids b y using the experimental pVT data

122. Stud ies on cor rosion of copper-aluminum alloys in artificial s ea water

123. Characteriz ation of Į- amylase in Ardabil honey

124. Kinetic and Isothermal S tudies of Cadmium Sorption onto Poly (Ethylene Terephthalate) Fibers Grafted w ith ۲-Hyd roxy Propyl Metha crylate

125. Adsor ption pro perties of ۲-hydroxy propyl methacryla te grafted onto poly ethylen eterephth alate fibers for removal of Cd (II) ions.

126. Degr adation of Acid Blue ۱۱۳ as organic pollutants in aqueous media by ozonation.

127. Harm onic balance method and the nonlinear ion trap

128. Investigation of the rem oval of Basic Violet ۲ by the walnut sh ell from aqueous solutions: study of the experimental parameters

129. ab initio Study of the Intr amolecular Proton Transfer Reaction in Imine - En amine Equilibrium : Effect of the electron dono rs and acceptors Substitutions on their Kinetics

130. Intra molecular proton transfer re action in E nol- Keto ne equili brium: ab initio Study of the electron donors a nd accept ors substi tution effe ct on their kinetics and thermodynamics

131. Fluor escence spectroscopic investig ation of interaction between DNP and hemoglobin

132. Iran Hydroge n Economy: Proble ms and C hallenges

133. Investigation of Bio–Na no Interaction betw een Sing le-Walled Carbon Nanotube and some of a mino acids

134. Liquid-Liquid Equilibria for Ternary Mixtu re of (Wa ter + Acetic Acid + Meth yl Isobuthyl Ketone) at Diffe rent Tempereture

135. A M ining Waste as a Catalyst fo r the Upg rading of a Hardwood Chip D erived Py rolysis Bio-Oil

136. Experimental Study of theEffect o f Hydrophilic Silic a Nanopa rticles on Foam Performa nce in Alkaline-Surfactant-Gas flooding

137. Conversion of CH۴ and CO۲ Mixture to Syngas over Ni/Al۲O۳-CeO۲ Nanocatalyst Synthes ized via Impregnation and Sol-Gel Me thods

138. Utilization of greenhouse gases thr ough methane dry reforming over Fe-V۲O۵/ZrO۲ catalysts

139. Sol-Gel vs. Imp regnation Synthesis of Ni-Cu /Al۲O۳ N anocataly st Used in Reforming of Meth ane

140. Molecular Dynamics stady of diffusion of Haloca rbons in FAU zeolite

141. A Co mputational Analysis of Interaction o f Different isomers of Curcu min with Protein Kinase Cį (PKCį )

142. DFT study of the electr onic structures and energetic s of different isome rs of curcumin

143. Computational investigation o n copper-a ssisted radioiodine exhange of Meta-iodobenzylguanid ine in ammonium sulfate matrix

144. A Theoretical Study on the Structural Features of Bisphosphonate Pharmaceuti cals

145. Direct Ab Initio Dynamics Study on the Reaction of CF۳CHFCF۳ with Cl Atom

146. Quantum Chemic al Modeling on Active Rutile TiO۲ Cat alyst in Oxidative Couplin g of Meth ane (OCM ) Process

147. Adsorption of CO Molecules on Fulleren e: A Densi ty Functional Theory Study

148. Capacitive effect of C۲BN Bilaye r Nanosheet by co mputational chemistry method

149. Ele ctrostatic Forces effects on aggregation behavior of CTA B surfacta nt around carbon nanotubes

150. Theoretical study of the Substituent effe cts on O–H bond dissociatio n enthal pies of trans-resver atrol deriv atives

151. DF T/B۳LYP study of the Antioxidant Properties of IRFI in t he Gas Phase and DMSO solvent

152. Molecular dy namics studies on the intera ction of an ionic surf actants with adenosine deaminase

153. Computational st udy of aza-adaman tanes as multivalen t bases

154. Free ene rgy Calculations of the Mutation in a Membrane Protein

155. Calculation of Water-E thanol Mixtures Autoprotoly sis Constants using ab initio methods

156. N-H…S and S -H…N intramolec ular hydr ogen bond in ۴-ami ne-۳-pente ne-۲-thial

157. Theoretical study of solvent effe cts on the conformational preference in E-Aminoacrolein and E-Thioaminoacrolein using PCM , IPCM and SCI-PCM methods.

158. Stud y of H۲ a nd CO۲ adsorption on bare a nd functionalized d ouble-walled ca rbon nano tubes by molecular dynamics simulation

159. Investigation of therm odynamic properties of Ni nanoclusters based o n Molecular D ynamics Simulations

160. S ublimatio n Enthal py of Nano-Sized Crystals of HMX: A Molecular Dynamic s Simulation Study

161. Predicting the effects o f basepai r mutatio ns in proline-rich h omeodomain (PRH)-DNA complex by thermodynamic integration

162. The effect of electric fie ld on interaction of glycine w ith (۶, ۰) single-walled boron nitride nanotube

163. T he computational study on t he effect of azobenzen linker on the dye

164. Diameter effect on the adsorption of aqueous cetyltrimethylammonium brom ide surfactant on carbon nanotube: A molecular dynamics simulations

165. Theoretical study of some aromatic compounds

166. The oretical Study, Kinetics and Mechanis m Investigation Of The Reactions Between Triph enylphosphite, Dialkylacetylenedicarb oxylates And N-H Acid For G enerationOf Phos phonate Esters

167. Mo lecular dynamic si mulation of dication ic ionic liquid: Eff ects of anion and cati on type on the liquid structure and tra nsport pr operties

168. Molecu lar structure and i ntramolecular hydrogen bon ding of O rto Fetaleic Acid. A DFT stud y

169. A DFT Study on Intra molecular Hydrogen Bond in Orto Hydroxy Ben zoic Acid

170. Natural bond orbital (NBO) investigation of phase transition of confined water molec ules inside carbon n anotubes: a multis cale meth od from M D simulation to DFT calculation

171. DFT calculations o f IR and NMR properties of ۴-(dim ethyl ami no)-۱-(trimethylsil yl) pyridin -۱-ium ch loride

172. Barriers t o permeation of ions through nanotubes

173. Computational Studie s of Fullerene Nan o Structures C۲۰( Ih ), C۲۴ (D۶d) , C۲۶(D۳h) , as H۲ Adsorbent

174. Theoretical stu dy of Oxy gen Adsorption on Ni(۱۱۱) Su rface

175. Investigation of solvation energ y and intramolecular hydro gen bond of ۱,۳,۴ -Oxadiazole-۲-thiol derivati ves in diff erent solvents

176. Computational Study of ۱-silaa llene and ۲-silaallene

177. SO۳-۲ ion adsorption on (۸, ۰) zigz ag Carbon Nano tu bes

178. A dsorptio properties of biato mic gases on (۸,۰) zigzag Single-walled carbon n anotubes: a densit y functional study

179. Quantum mecha nical study of intera ction bet ween ۳-m ethyl-۲-thioxoimid azolidin-۴-one and I۲ in the gas phase

180. DFT, AIM and NBO analysis of ۴-methyl-۲-thioxoimidazolidin-۴-one tautomers and th eir complexes with iodine

181. New grafte d zigzag ( ۱۰,۰) carbon nanotu bes with two phosp horamide s

182. NQR study of two f unctionalized carbon nanotu bes with phosphoric triamides

183. A DFT Study on Orga nic–Inorg anic Hybrid Compound by NMR in Gasa nd Solven ts

184. Resonance at Intramolecular Cyclization i s Proven by Electr on Densit y of Atom

185. A navel nan o Boron Nitrogen Carbon co mpound as an antibiotic carr ier and DFT Study

186. B۵N۵C۸H۱۸ nano cluster as a novel material fo r drug de livery

187. Theoretical studies on tautomerism of ۴-H ydroxyco umarin derivatives in gas phase and solution

188. Calculation of Cl- -Ar Potential Energy and Mobility of Cl- Through Ar

189. Stereoelectronic interaction effects on the conforma tional pr operties o f ۲-halo-۲-o xo-۱, ۳, ۲- dioxaphosphorinanes and the ir S, Se a nalogues

190. A study of t he exchange and correlation energy of thiocyanate ion: DFT calculations within the symmetrized Kohn-Sham formalism

191. Comparison of theoretic al metho ds for ab initio and DFT calc ulations of the frequencies of normal vibrations of thio cyanate ion

192. An analytical potential energy surface for P۲-He dimer from ab initi oc alculations

193. Adsorptio n of parent nitrosamine on the nanocrystalline M–zeolite

194. Theoretical investigation of Nitrogen mustards using quantu m chemic al c alculation and neural network

195. Cy totoxic ac tivity pred iction of ۲-chloroethylnitros oureas using quant um chemical study and sensitivity ana lysis

196. Ev aluation t he Anti-Bacterial Activity of Some ۱,۲,۴-Triazole Derivatives through a Quantitative Structure Activity Relationship approach

197. Relative pKb calcula tions of aniline derivatives in aqueous solution

198. I nteraction of Oxazepam drug and sin gle-wall ca rbon nanotubes: A theoretical study

199. A computational study of the behavior b ulk ionic liquid ۱-n -propyl-۴-a mino-۱,۲,۴ -triazolium bromide

200. Molecular dy namic si mulation of Water confined in side carbon nanotube

201. Density functional theory investi gation of interaction between single-walled car bon nanotube and amino acids

202. Com parison of Hydro gen Bond interaction between Acetic a nd Propan oic acid Dimer with Density Functional theor y calculation

203. Effects of electronegative group s F,Cl,Br on Hydro gen Bond intraction in Propanoic A cid Dime r using Q M.

204. Study of ionic liquid and a single- wall carbon nanotube mixtures using molecula r dynam ic simulations

205. Cal culation of diffusion and transport coefficient fo r ۱-n-prop yl- ۴- amino-۱, ۲, ۴- triazoli um bromide ionic liquid

206. Mobility of gaseous io ns in noble gases: comparison of poten tial models

207. Study Stability Com plex Mes o-tetra Arylporphy rinato Zinc & BF۳ With DFT Calculation results

208. Study quantum me chanical calculations comple x HABA– and Li+ With a b initio & Thermo dynamic r esults

209. Many-Body effects in some thermodynamic properties of CO۲, CO۲-Ar, and CO۲-CH۴ from molecular dynamics simulation

210. The effect of Mercapto acetic acid adsorp tion on Si۱ ۴ silicon q uantum dot.

211. Hybrid density functional t heory stud y and na tural bon d orbital interpr etation of conform ational b ehavior of methanedithiol

212. Ab initio study of intr amolecular fluorine transfer in perfluoroguanidine

213. A DFT stu dy of hyd rogen ads orption on Ln@B۱۶N۱۶ fullerene-like nanocluster (Ln: La, Gd and Lu)

214. Dynamic Beh avior of Boron Nit ride Nanotube and Surfactant Complexes Mediated Molecular Dynamic Stimulation

215. Molecular D ynamics Simulations Studies of surfactant -Wra pped Single - Wa lled Carbon Nanotubes surface

216. Molecular modeling of ۱-ethyl-۳-methylim idazolium -based io nic liquids + H۲ S complex es

217. Assignment of Absolu te Configuration of Fischeri n by Com puted NMR Ch emical Shifts

218. Configuratio n Assignm ent of ۸Į-hydroxy-۱۳-hydro peroxylabd-۱۴,۱۷-dien-۱۹,۱۶;۲۳,۶ Į-diolide by Computed Chem ical Shifts

219. A dsorption properties study thiazole att ached (۶,۰) zigzag single-wall ed boron ph osphide n anotube

220. A DFT study of imidazole adsorption pro perties on (۶,۰) boro n phosphide nanotube

221. Ab initio s tudies on the reactivity and thermal d ecomposition of the CF۳O CH۲O radical

222. Theoretical studies o f decompo sition an d reactivity of the C۳F۷OCH۲O radical

223. Covalent hy bridizati ons of car bon nanotubes – Graphene nanoribbo nsthrough pepti de linkages: A density functio nal appr oach

224. Theoretical st udy of com plex for mation co nstant between ben zo-۱۵-cro wn-۵ and Mg۲+ cation at different temperatures

225. Effect of aniline substitutions o n polyaniline HOM O/LUM O band gap

226. Computatio nal mechanistic stu dy of met hanol and hydroperoxyl radi cal reaction

227. Evaluation of cyclic (am ino)(phosphino)-, and cyclic (alkyl)(a mino)carbene effects on the second generation of Grub bs' catalysts

228. Hydrolysis Reaction Me chanism of the Second Generation Anticancer D rug Carboplatin: An Ab-inito study

229. DFT study of C۱۶ nano cluster as a novel material for antioxidant carrier

230. C۷ Si۵ Ge۳ Nano cluster for vitamin C carrier and DFT study

231. A QM/MM study of catalytic mechanism of human Glyoxalase I

232. Quantitative structu re-activity relationship study ofdihydro pyridined erivatives bymetho ds topological descriptors and chemometrics

233. A comparative study of B۳LYP in predicting of stability of N'-benzylidene-۲,۴-dichlorobenzohydrazide

234. A comparative study of B۳P۸۶ in predicting of stability of N'-benzylid ene-۴-(dimethylam ino)benzo hydrazide

235. Inve stigation of substit uent effects phenyl on the intramolecular hydrogen bo nd of methyl ۳-oxo-۳-phenyl propanoa te (MOPP)

236. Investigation of intramolecularhydrogen b ond and study of conformers of methyl ۳-oxo-۳-phenyl propanoate ( MOPP)

237. Conform ational sta bility, mo lecular structure, and Intra molecular hydrogen B onding of (Z) -۴, ۶-d ioxo-۶-ph enylhex-۲ -enoic ac id [ZDPE A]

238. Density functional study of ternary B -C-N com pounds by NMR sp ectroscop y and NBO analysis

239. Evaluation of the Host-Guest In clusion Complex Formation of Cucur bit [۷, ۸]uril with trans-[{ PtCl(NH۳)۲}۲(ȝ-NH ۲ (CH۲)۸NH۲)]۲+) Anticancer Drug

240. Theoretical Calculations of the Host-Guest Inclusion Complex Formation of Cucurbit[n]urils w ith Multinuclear Platinum Anticancer Agent

241. pplication of linea r and nonlinear QSAR metho ds for pr ediction of antitrypanosomal drugs activities of some ۱, ۲-dihydroquinolin-۶-ols and their ester derivatives

242. QSAR study of p۳۸ MAP kinase in hibitors a ctivity of some pyridopyridazin-۶ -one derivatives using SR-A NN and GA-ANN

243. Simulation of N۲-CO mixture using an a b initio p otential an d study of thermodi ffusion phenomena

244. A quantum ch emical study on the structural and electronic properties o f ۴-Bromo-۲-[(۲, ۴-dichloro-phenyl imino)-me thyl]-phenol

245. Determination of Acidic Dissoci ation Con stants of ۵´-GMPand ۵´-AMP in Water usin g ab initio Methods

246. Vibration al Freque ncies of ha lo-derivatives of an iline: A D FT Study

247. DFT study on the mechanism of the For mation of Monoden tate Acetate Comple x of Pallad ium(II)

248. Use of ab initio m ethods to predict e xcess mol ar enthalpies by using therm odynamic s models for binary mixture of aceto nitrile + w ater

249. Binding energy calcula tion and complex formation constant prediction of so me aza-crown ethers with Cd +۲

250. Elect ron density analysis of noncovalent P… N interac tions

251. A comparison of some p roperties of C=S a nd C=Se bond

252. Structural an d energetic aspects of adsorb ed CH۴ on different single-wa lled carbon nanotubes, A DFT study

253. Theoretical Study of Cooper ative effects in Į-gl ycylglycine clusters

254. Interaction o f the Alk ali Metals with Graphene Sheet

255. Calculation of ۱۳C NMR parameters of ۳-anilino-۲-nitrobenzo[b]thioph enes and Comparison with experimental

256. A DFT study of Ga-doped in armchair and zigz ag models of boron phosphide nanotubes

257. A computatio nal NMR study of BN-doped SiCnanotubes

258. Molecular dy namics sim ulation study on t he interaction of metalated tetera sulp honated phthalocyanine wit h adenosi ne deaminase

259. The effect of cationic and anionic phthalocyanines on the adenosine deaminase structure, molecular dynamics and docking studies

260. Quantum mechani cal investigation of the catalytic mechanism and inhibition of the dinuclear zinc metallo -ȕ-lactamase by penicillin

261. A DFT stu dy of ۱۷O NMR pa rameters of Benzyl ethers Components

262. Configurational and conformational pro perties of ۱,۳,۷,۹-te trastanna - cycl ododeca-۱,۲,۷,۸-tetraene. A hybrid density functional study and natural bond orbital interp retation

263. NM R parameters of Boron and Nitrogen doped in nano-size of Fullerene (C۶۰)

264. Co mputational Study o n the interaction b etween B۱۲H۱۲۲- and Ca(C۶H۶ )۲۲+.

265. Complete Gas-Phase Proton Micr oaffinity Analysis o f Two Aliphatic Linear Pentaamine Ligands

266. Theoretical study on the mechanism of ure a hydroly sis catalyzed by Pd(II)

267. Effects of electron donating and electron withdrawing substit uents on the nature of C=N bond in Z and E isomers of R-CH= N-R com pounds: A computational study

268. A theoretical study on the Diels–Alder reaction of ۲-nitroindolizines

269. Ion-pairs for med in ([ Mim+][N(C N)۲í]) ion ic liquid: A quantu m chemistry Study

270. Cis-enol tautomerism of Ethyl-۲, ۴-dioxo-۴-phenyl butanoate: A theoret ical study

271. The conforma tional and vibrational assign ment stu dies of ethyl-۲, ۴-dio xo-۴-ph enyl butanoate

272. Determination of acidic Dissociation Constant of L-Alanyl-L -Alanine in w ater Usin g ab initi o Methods

273. Prediction of retentio n index of atmosphe ric volatile organic compoundsdataset using QSPR methods

274. El ectron Density Analysis of Un usual Oxygen-Oxygen Bonds in Benzo yl Peroxide

275. Ev aluation of Chemical and physical properties of copper ions in bor on nitride nanotube

276. Investigation NMR and N BO properties of B ۱۲N۱۲ nanotube

277. Interaction b etween selenium analogues of methimazole and Mz+ (Na+, Li+, K+, Be۲+, Ca۲+ and Mg۲+): A qua ntum chemical study

278. Taut omeric p ropertis o f a Schiff base drived from thiosemicarbazide and ۵-chloro salicylaldehy de : NBO and AIM analyses

279. Methoxy position effect s on donor and acceptor interactions in schiff b ases derive d from ۵- amino-thi adiazole-۲-thiol

280. Applicati on of a two-dimensional potential function for ca lculating tunneling frequency o f tropolo ne

281. Quantum stdy of effect of inhi bition som e Schiff base compounds in the mild steel corrosion in Sulfur ic acid en vironment

282. Computati onal Insights of Gas Phase Cluster Ion s: Chloride Ion w ith (CH۴-m Clm) (m=۰-۴)

283. DF T/B۳LYP Study of the Substituent and Solvent Effects on the Reaction Enthalpies of Homolytic and Heterolytic N– H Bond Cleavage in Melato nien Derivatives

284. The influence of aliphatic amino acid side g roups on the acidity of Lysine by density functional theory

285. DFT study of interactionof nitrousaminew ith single-walled BN nanotubes

286. Inve stigation o f the addition-cyclization reaction bet ween dialkylacetylenedicarboxyl ates and t hiourea: A theoretical study

287. A dsorptionof formam ide on si ngle-walled BN nanotubes: A DFT stud y

288. Interaction be tween different cations with tautomer ic forms of thiocytosine

289. A DFT stud y of the structure a nd electr onic prop erties of Benzoxazole

290. DFT study of the str ucture an d electronic properties of ۴-Bromo-۲-(۲ , ۵-dichloro-phen ylimino)-m ethyl]-ph enol

291. Investigation on the Ability of Di fferent Generations of Density Functionals to Pre dict the Structural Properties of VO(Salen) Co mplex

292. Theo retical Study of a D i-Copper(I) Macrocyclic Co mplex Bea ring Bro mide Bridges

293. A Reliable Simple Cor relation fo r prediction of the flash point of aliph atic amin es from molecular contributions

294. Elec tron don ating and electron w ithdrawi ng groups effects at ȕ-positio n of seve n membered ring C۶H۷MX ( M=C, Si , Ge , Sn , P b) using c omputational method

295. Steric effects on the Singlet–Triplet Energ y Gaps of Seven Membered R ing R۲C۶H۶ M (M=C, Si , Ge).

296. HOMO-L UMO Energy and NBO Analysis on Chemical R eactivity Description of Some Derivati ves of ۱-P yrazolines

297. Kinetic Is otope EffectsInvest igationon the Mech anism of Nitrogen Extr usion from ۳-Methyl-۱-Pyrazoline

298. A Density Functional Theory and QTAIM-Based Study of the Physical Propert ies of [M(dipic)(H۲ O)۳], (M=Fe, Co, Ni, Zn) Com plexes

299. S tudy Stab ility Nove l Complex of Diimine and B oron Triploids With DFT Calculation results

300. Appli cation of Transition Metal Su bstitution s in Biosensors

301. Intermolecular Forces inImidazolium-b ased Ionic liquids: QTAIM a nd NB O Analy sis

302. Tautomerism of new az o-azomethine ligand in the gas phase a nd in solution: TD -DFT study of the electronic spectra and therm odynamic paramete rs

303. Investigation of vibrational modes and intramolecular hy drogen bonding in Quinizari n

304. H-bon ded complexes of ur acil with ۱ nitrosop yrrolidin – ۲ ol

305. A De nsity Functional T heory (DFT) Study on the Tautomeris m of ۲-Am ino-۶-methyl Pyrimidine-۴-one: Solvation Effect and NBO A nalysis

306. Th eoretical Investigation of Solv ent Effect on Arom aticity of ۷-Azaindole

307. Interactio ns of Glutathione tripeptide with gold cluster: Influence o f intramolecular hydrogen bond on complex ation beha vior

308. Conform ational as pects of Glutathion e tripeptid e: electron density topological & natural bond orbital analyses

309. Stereoelectr onic interaction effects on the structural and configurational properties of radicals derived from thiacyclohexane ۱-oxide sele nacyclohexane ۱-oxide. A Hybrid density functional theory study and natural bond orbital in terpretation

310. Calc ulation of the pKb values of so me Anili ne derivatives in D MSO solution

311. Influence of Multiple & Cooper ative Hyd rogen Bon ding on the Acidity of Polyhydro xylated Piperidines : Electron Density T opologic al Analysis

312. A NMR stu dy of Ge and As-doping in (۴, ۴) Armc hair and (۸, ۰) Zigz ag form s of boro n phosphide nanotubes

313. H eavy metal (Co۲+, C r۳+, Ni۲+, Pb۲+, Zn۲ +) comple xation by Calixarene, supramolecular nano organic material: chem ometric analysis

314. Configurational beh avior of ۱,۲-diphenyldistiben e. A hybrid-density function al theory study and natural bond orbital interp retation

315. The role of L-histidine in the activation of carbonic anhydrase enzyme : A q uantum mechanica l approch

316. A QTAIM study on carbon-doping at different sites of (۸, ۰) BNNTs

317. Molecular dy namics simulation and free e nergy pe rturbation to calculate free ener gy of solvation for carbon nanotube

318. CHARM M General Force Field Parameterization for C urcumin

319. Theo retical investigation on Tautomerism and NBO Analysis of ۳-hydro xyl-l,۲,۵-thiadiazole Derivati ves: Solvent and Substitute Effects

320. A D FT Study of Solvati on Effects and NBO Analysis on the Ta utomerism of ۳-su bstituted ۱H-pyrazol-۵(۴H)-one

321. A computation al ۲۷Al and ۱۵N NMR Charac terization of AlnN n clusters with n= ۱۲, ۱۶, ۲۸, ۳۶ and ۴۸

322. A theoretica l study on the react ion mechanism of NH۳ with OH radic al.

323. Complexation of cryptand(۲۲۲) with Li+ a nd K+: AIM and NBO analyses

324. AIM, NBO and HOMO-L UMO Analysis of ۱ ,۱/-(Ethan e-۱,۲-diyl)dipyridinium b is(iodate) (EDB) by Density Functional Method

325. A C harge Density Anal ysis of Pro tein-Ligand Bindin g in the active site of FP PS enzyme

326. Investigat ion of vibrational spectrum and intra molecular hydrogen bonding in Danthron

327. Modeling o f vibratio nal spectr a for prim ary alcohols: DFTc alculatio ns

328. A theoretica l investigation on t he stability of several endohedral mixed-metal nitride cluster fuller enes using DFT

329. Mixed Micelliz ation of Gemini Surfactants and Conventional Surfactan ts: A Monte Carlo Simulation

330. Theoretical study of five different porph yrins as sensitized dyes on Ti O۲ nanostructure solar cells

331. Theoretical Study of Phe a, p he b and Phe a-Ph e b Chloro phyllous molecules for Dye sensitized solar cells (DSSCs)

332. DFT study on the electronic pr operties of the nanodiamond (C۲۴) with doxo rubicin d rug

333. Some ther modynam ic proper ties of fluid SF۶ using a new HFD-like p otential including th ree-body interactio ns: The i nversion method and m olecular dynamics simulation

334. Many-Body effects in some thermodynamic properti es of CF۴, CF۴-Ar, and CF۴-CH۴ using HFD-like potentials from molecular dynamic s simulation

335. Drastic influence of the intramolecular cat ion-ʌ interaction o n the basi city of selected amines: AIM a nd NBO analysis

336. Influence of boron atom on the acidity o f alcohol in both ga s phase an d solution phase, A DFT study

337. Q uantum mechanica l study of antioxida nt ability of rutin (vitamin p) ag ainst heme

338. Theoretical in vestigatio n of the i nteraction s between Li atom and eleme nts from first to fourth rows of periodi c table

339. A Density Functional Theory ( DFT/B۳L YP) Investigation o f Charged Thiophene Oligomers

340. Tautomeris m and Minimum Po larizability Princip le

341. QS PR Calculation of D ensity of Som Orga nic Comp ounds Use of Mult iple Lin ear Regression (MLR) Method

342. An Improved QSPR S tudy of ΔfG۰ of Som e Organic Molecules Based on AM۱ Calculation

343. A Theoretical Study on the C ۲H۲ + NO reaction

344. A qu antum chemical st udy on the structur al and ele ctronic properties of (۲, ۶-Dichloro-be nzylidene )-(۲, ۴-dic hloro-ph enyl) – am ine

345. NBO Analysis of Fe (III)-salen and Fe (III)-salen-li ke complexes as potent anticancer agents

346. Effe ct of Cu in sertion o n the stru cture and electronic properties of small Rh clusters: A DFT study

347. Stud y of Hyd rogen RD F on C۲۰, C۱۹B an d C۱۹Si F ullerene Nanocages at Different Tem peratures and Press ures

348. Dyn amic ۱H NMR and Theoretic al Study of Carbon -Carbon Double B ond Rotational En ergy Barrier in Sta ble Phosp horus Ylid e Drived from Trie thyl phosphate

349. th eoretical investigation of ۴-nitroacetanilide from the reaction between trialkyl phosp hite and dimethyl acetylened icarboxylate

350. Dyna mic ۱H NMR along Doub le Bond in the New with The oretical Study arou nd the C arbon-Ca rbon Stable P hosphoru s Ylide Derived fro m Hexam ethyl Phosphorous Triamid

351. Linear an d nonlinear optical propertie s of stilba zolium de rivatives

352. A b initio calculations of pyridi ne chloro derivatives and their ۳۵CI NQR parameters

353. Molecular dynamic simulation of Hum an Lysozyme: insig ht into the thermal s tability of enzyme

354. A compar tive stud y of chemical shifts in ۲-substitude pyrrole stable pho sphorus y lide: ۱۳C and ۱H N MR GIAO c.s meth ods

355. Theoretical Studies of Kineti cs and Mechanistic investigation of the Rea ction Between Trip henylphosphine, Dimethyl a cetylenedicarboxyla tes and ۳-chloroacetylacetone

356. C hlorine A dsorption on Fuller ene: A Density Functional Th eory Stud y

357. The effect of parallel e xternal el ectric field on the aromaticity by density functiona l theory a pproach

358. Tautomeris m of ۶-azauracil in the gas phase and i n methano l and water clusters: A theoretical study

359. Theoretical study on hydrated an d self-assisted proton transfe r mechanism in ۴-met hyl ۲-thioimidazole

360. A co mparative study of carbon, boron-nitride and silicon-carbide nanotubes based on surfac e electrostatic potential and Q TAIM an alysis

361. Study of Electronic and Dynamical Properties of Selenium Nanowires using Quantum Mechanic s Method

362. The modeling of intermolecular potential C S۲ - CS۲ dimer using neuro – fuzzy methods

363. The effect of acidic environment on the repair proces s of O۶ m ethyl guanine b y cysteine

364. Quantum chemical computat ional stud ies on ۲-[(۴Me thoxybenzyl)iminomethyl]ph enol

365. Comparing Anomeric Effects of halo[۱,۴]dioxane and halo[۱,۴]dithian in Solvent and Gas Phases

366. On the natu re of Mg -L interactions (L= BF, CO, N۲, NH۳ a nd H۲O): A sym metric-a dapted perturbatio n theory ( SAPT) stu dy

367. E ffect Br substitutio n on the s tructure and intra molecular hydrogen bonding streng th of naphthazarin: DFT an d NBO stu dies

368. A theoretical studyon the Gibbs free energyof t he solvatio n of C۶۰, H۲O@C۶۰, C l¯@C۶۰, K +@C۶۰in water, ac etonitrile, CCl۴ and chloroform solutions

369. A theoretic al study o n the inter action of HF@C۶۰ w ith [Al(H ۲O)۶]۳+ an d [Mg(H ۲O)۶]۲+ c ations

370. Rotation aroun d the C۳ sy mmetry axis in ʌ-cation-ʌ sy stems

371. The mutual relationship between H-bonding and cation…π in teractions in cation:(G...C) co mplexes

372. Coc rystallization of theophylline with carboxylic acids

373. The estimation of halobenzenes aroma ticity using NBO calculations

374. Molecular structure a nd frontier orbitals HOMO-L UMO stu dies of some unsy mmetrica l ۱,۴-dihydropyridine using density functional t heory method

375. De terminati on of Acidic Dissociation Constants of ۵´-IMPand ۵´-UMP in Water using DFT Methods

376. Nitrogen-Containing Heterocyclic Comp ounds Amination: DFT Energy Level alignment

377. Structures and Electronic Propertie s of Aluminium Na nowires E ncapsula ted in Sin gle-walled Boron N itride H-capped an d open en d Nanotube

378. Hy brid density functional theor y study and nuclear magnetic resonance a nalysis of the decom position reaction of but-۳-en-۱-ol and its analogs containingS and Se

379. A theory of mode of act ion of Glycyrrhizin and Glycyrrhetinic Acid as D NA and RNA binding agents using automated flexi ble ligand docking

380. Synthesis and molecular dynamic sim ulation of methyl o ctanoate a nd methy l perfluor ooctanoate

381. Stud y of the transverse electric field effect s on elastic modulu s of nanotubes by density function al theory

382. The A IM Anal ysis of Isomers of F OX-۷

383. On the effect of substituents on t he Natur e of the C ŁC Bond i n R۳E-CŁC-ER۳ (E=Pb; R =H, F, Cl) compounds

384. Conformational behaviors of ۲-m ethyl-۱,۳,۲-dioxaphosphorin ane. Ahy brid density func tional theory study and natural bond orbital interpretatio n

385. A physical properties a nd phase diagram investigation of clay-sand syste m

386. Boron-Substit uted C۲۰Cage and B owl Fullerene Structures;Can They be one of the options for C l۲ Adsorbent? A D FT Study

387. Qu antum mechanical study of a dsorption of CO on graphene; A Hybr id DF T calculation

388. A theoretical study on bonding and ener gy aspects of [Ln(D OTA)]- a nd [Ln(DOT A).H۲O]- complex es (Ln=Eu۳+, Ho۳+)

389. A DF T investigation on the spin–s pin couplings acro ss the hydrogen bon d in no n-steroidal anti-inflammator y propion ic acid derivatives: Iboprofen, Naproxen and Flur biprofen

390. A QSAR study on biolo gical activities of p olyamines as anti - alzheimer drugs

391. (E)-۳-X-Indoline- ۲-thiones in solution vs. gas phase at D FT levels

392. Stable heavier cyclonona-۳,۵,۷-t rienylidene congene rs and its halogenated derivatives, at DFT

393. A t heoretical predicti on of stabi lity of no vel carben es

394. The oretical Study of Free Activa tion Ener gies of Electron Transfer Process in Nano-co mplexesofmeta and para-Di-phenyl-met hyldene- Fluoresce nt withFulleren es

395. The oretical Study of Free Activa tion Ener gies of Electron Transfer Process in Nano-co mplexesofmeta and para-tetra Bis ۳,۴- tetra phenyl ethylen s withFulleren es

396. QS AR investigation on quinolizidinyl der ivatives i n Alzheimer’s disease

397. Configurational properties of ۱,۲-propadiene, ۱-ger ma-۱,۲-pr opadiene, ۱.۲-digerma-۱,۲-propadiene and ۱,۲,۳-trige rma-۱,۲-propadiene . A hybrid density func tional theory study and natural bond orbital interpretatio n

398. Theoretical Studies on Complete Gas-Pha se Proton Microaffinity Analysis of Three Linear Aliphatic Hexaamine Ligands

399. Th eoretical S tudy on the Nature of CŁC B ond in R ۳E-CŁC-ER۳ (E=C, Si; R=H, F, Cl) Compounds

400. The ano meric effect in Į-halo-O-oxime ethers; effects of different substitutio ns with different electronic p roperties

401. Comparing the anome ric effect in Į-halo ether and Į-halo-O-oxime eth er com pounds; DFT and NBO stud ies

402. Dy namic Beh avior of Boron Nit ride Nanotube and Surfactant Complexes Mediated Molec ular Dynamic Stim ulation

403. Sepera tion of C o۲,So۲ from Ch۴ in AIN ( Aluminium Nitride Nanotube )

404. A DFT stu dy on the fluorinated derivat ives of bo ron, alum inium, an d nitrogen substituted cyclic carbenes

405. A DFT stud y on the mechanis m of Gold -catalyzed methanolysis of ۱, ۵ enynes

406. A n ovel intera ction bet ween Protein Z and Z-depen dent Prote ase Inhibitor complex

407. Theoretical study on the mechanism of the reaction of ۱, ۵ enynes having a Si atom with nucleophiles catalyzed by Gold complexes

408. Relation between the substituent effect and arom aticity in imidazole derivatives: a compar ative stud y

409. Existence and characte rization of HO۳-CH۳OH Com plex: A computati onal study

410. A computational stud y of interaction between Acetylene & hypohalous acids

411. Effect of hydration on the mechanism of pro ton transfer in Oxozolidinethiones

412. Tautomeris m of hydr ated and d ehydrated barbitu ric acid: A theoreti cal study

413. Qua ntum mechanical study on t he mechanism of Le wis acid-catalyzed ene reactions of formaldehyde

414. Prediction of Microscopic Protonation Constants of Hematoxylin Vi a Computational M ethods

415. Solid-st ate struct ures of two conform ers of N-(nicotinyl) N,N'-bis(cy clopentinyl) phosphoric tria mide; insights from X-ray cr ystallography and D FT calcula tions

416. Investigation of Fullerene effect on reactivity of Methyldopa with NMR parameters

417. DFT/NBO A nalysis of Complexes between Nanotube s and Anti-HIV Dru gs

418. Thermodynamic Functions of Complexes between Nanotubes and Anti-Cancer Drug s: A Theo retical A pproach

419. Quantum mechan ical Inve stigation o n the Inte raction Between Nitrobenz ene and N anotube

420. Influence othe Stru ctural Properties of Swcnts in Phenol A dsorptio n: Density Fu nctinal Theory Stud y

421. F unctionalization of boron nitr ide nanotubes with NH۲CO and COO H functional groups

422. Molecular dynami c simulati on study o f structur e and dyn amics of asy mmetrical dicationi c ionic liq uids

423. Enzyme molecular mechanis m of O-GlcNAcase by small molecule inhibitors: A qua ntum mechanical a pproach

424. Enantiomerization energy profile of methyl propargyl ether and its analogs containing S and Se atoms. A H ybrid density functional theory study and natural bond orbital in terpretation

425. Donor-Acce ptor interactions between Be nzocryptand(۲۲۲) and Ca۲+ and Na+

426. Introducing th e Shannon – Fukui Index as a Measure of Stability in Nucleic Acida

427. Density functional theory (DFT) Based Study Of S olvent Effect On B۱ ۰N۱۱ And B۱۰N۱۱H۷ (Gly)۲ Nano Struct ures

428. Density func tional efficiency in the calculations of molecular N,Nƍ-bis(۴-hydro xy salicylidene)-diet hylenetriamine

429. Theoreti cal Study of Interaction of Schiff Base (Salpr) with Mg ۲+ Cation as a Corrosion Inhibitor

430. DF T study o f the ۱, ۳ dipolar cy cloaditio n reactions between alkyne a nd diazo compounds

431. Co mputational study of some s elected ۱,۳ dipolar c ycloaditi on reactions

432. AQSAR St udy on Bi ological Activities of Diketo C ompound s as HIV-۱ integrase inhibitors

433. Q SAR studies on some marine natural al kaloids a s anticancer agents in cancer leuke mia

434. Interaction en ergy investigation of some aromatic hydrocarbo ns on oxidized m ultiwalled carbon nanotube s

435. Ab initio calculation of intermolecular po tentials &predicti on of seco nd virial coefficients for van der W aals com plex CH۴-N۲

436. How the Struc ture of Interferon- Alpha, Responds to Temperature Cha nge? “A Molecular Dynamics Simulation Study”

437. Mechanism of Acti on of Anti-cancer drug with DNA: A th eoretical approach

438. Interacti on of CO with SiCnanocluster surface

439. A Theo retical Appruach to the Gibberellic Acid (GA) Effect on Monoterpene Distribution in Rubus Caesius

440. Experimental and theo retical study of a new diazap hospholane compound: (ClCH۲CH ۲)۲NPO[H N(CH۲)۲ NC(O)C۶H ۴(p-NO۲)]

441. Molecular dynamic simulation study o n native and glycate d form of myoglobin

442. Synthesis, physico-che mical prop erties an d theoreti cal calcula tion of [۱-(۲-chl orophenyl)-۳-(P-methyl phenyl)triazene] as a ne w asymme tric triaz ene

443. Structural characteristics of a damaged DNA

444. Determination of stable structure for Tr yptophan cage usin g Molecular dyna mics simulation

445. Elucidation of chemo- and regioselectivit y in the alkylation of ۶-methyl uracil usi ng GIAO/۱۳C NMR

446. Modeling the Molar D iamagnetic Susceptibility of Diverse Aliphatic Organic Compounds via Molecula r Descripto rs

447. Mole cular str ucture an d resonan ce interactions effects on NMR tensors and NQR frequencies of halluci nogenic a nalogues

448. Th eoretical S tudy of acetylene Adsorption Energy o n Nano M etal Crys tal

449. T heoretica l Study ( DFT) Of G as Adsorption On Nano Metal Crystal

450. Configura tional be haviors of ۱,۲-dihal osilaethene. A hybrid density functional theory study an d natural bond orbital interpretation

451. Synthesis, characterizatio n and theo retical st udy of som e new phos phohydrazides

452. Qu antum ch emistry studies on reactivity of the levo-dopa drug linked to to c۶۰

453. Mol ecular Dynamics Simulations Study of Two Single Mutati ons of Coil ۲B of Hu man Lamin A/C

454. St udy of the glassy temperature of dicationic ionic liquid by molecula r dyna mic simulation

455. T heoretical study of g eminal dicationic ionic liqui ds ۱ ,۳- bis[۳- methylimidazolium-۱-yl]butane halides

456. Monte Carlo Simulation of Na nostructu red Adamantane Self-assembly

457. Qua ntitative correlations between the vibrational frequencies and electron delocalizatio ns in ۲-D-۱,۳-dioxane, -dithi ane and –diselenan e. A hybrid-density func tional theory study and natural bond orbital interpretatio n

458. Conformation al behaviors of ۲-halo-۱,۲,۴, ۵-tetrahyd robenzo[d]oxepines. A hybrid-d ensity fu nctional t heory stud y and natural bond orbital interpretations

459. Stereoelectro nic intera ction effects on the conforma tional properties of cis-۵-tert-bu tyl-۲-phosphinoyl-۱,۳-dioxane, -dithian e and –diselenane

460. Study of Sing le and m ulti-walled Carbon Nanotubes as filter of vanadium by computational chem istry method

461. Study of Singleand multi-walled Carbon N anotubes as filter of vanadiu m by computatio nal chemis try meth od

462. Stud y of the solvent polarity impacts on the stability of Erythr omycin ethyl s uccinate by means o f hybrid density functional theory based metho d

463. Molecular Dyna mics Simulation of S ome Organic Compounds Solu bilization into the Nanometric Core of CTAB micelle

464. In vestigatio n and com pare of a ntioxidant properti es of some of phenolic compound by d ensity fu nctional th eory

465. DF T study o f antioxid ant prope rties and the reactivity of O H groups on saffron petals

466. Com putation al investigation of plausible s pecies in l inkage isomerization of nitro- and nitrito-pen taamminecobalt(III) complexes

467. HO MO-LUMO calculation of Novel ruthe nium mult icarboxylic acidfor dye s ensitized solar cell a pplicatio n

468. Theoretical studies on tautomeri sm of (N- N) ۶-Hydroxide ۵-Flourocytosine

469. Nicotine Ad sorption Capacitie s of Single-Walled Carbon N anotubes: a Ste ered Molecular Dyn amics Stu dy

470. Why bis (۱,۲,۴,۵-ben zentetracarboxylic) nitrato ruthenium (II) is not suitable case for dye sensitized soalr cell application?

471. MP۲ Study the Kinetics and Hardness Profile o f SN۲ Re action in Haloalkanes of Cl- and Br-:t he Effects of CH۳ Group Sub stitutions

472. Steered Mole cular Dynamics Sim ulation of Adriam ycin Dr ug Uptake by N-iso propylacrylamide Copolymers

473. Interaction of CO with B Nnanoclu ster surf ace(Corrected)

474. Interacti on of CO with BN nanocluster surface

475. Theore tical molecular structure and vibrational freque ncies of TlX۳( C۲H۶OS)۲ (X = Cl, B r, I) com plexes

476. Spectrophotometric determination of acidity constants of Tho rin in water, Water-Triton X-۱۰۰, water-Brij-۳۵ and water-C TAB micellar mediasol utions by chemometrics method

477. Investigation on Meta losalen C omplexes Binding to ct-DN A using UV/Vis spectroscopy

478. Viscometery a nd UV/Vis Spectra l Investig ation on Interaction of Bis ۵-Phenyl Azo Salicyl aldehyde E thylene d i imin C obalt (II) With Calf Thymus Deoxy Ri bonucleic Acid .

479. Viscosity Behavior of Glass-forming Liquids and Fluid ity Equation

480. Protonation Constants of ۵'-IM P in Diffe rent Aqueous Solutions of Methanol

481. Density calculation using an extended LJ potential-based equation of state for quantum light molecules at supercritical region

482. Study Of Ni(II)-G lycinamide Complex Formation By Spectrophotometric Method In Various Temperatures And pH=۴.۰ , I=۰.۵

483. Modelling the Vapor-Liquid Equilibria Using Modified van der Waals Family Equations of State

484. Excess Molar Enthalpies of isobutanol (۱) + ۱-alkanols (C۱–C۳) (۲) at ۲۹۸.۱۵ K and Correlated with NRTL model

485. Heat of mixing of binary mixtures consist of butylacetate (۱) + ۱-alkanols (C۱–C۳)(۲) at ۲۹۸.۱۵ K and ambient pressure

486. A systematic study on the salting effect of some kosmotropic salts on some aliphatic alcohols: study of the phase separation ability using cloud point titration method

487. Experimental and theoretical investigation of ATPSs composed of some aliphatic alcohols + disodium tartrate + water at T = ۲۹۸.۱۵ K

488. Phase Behavior for the Aqueous Two-Phase Systems Containing Tetrabutylammonium bromide and Kosmotropic Salts

489. Calculation of liquid densities for binary mixtures of n-butane and isobutane using by ISM equation of state

490. Solvent effects on protonation of trimetoprim in different aqueous solutions of methanol

491. Astudy of solvent effect on protonation constant of pyridine carbaldehyde in Different Aqueous Solutions of Methanol

492. Study of complexation of dioxouranium(VI) ion with Isoleucine

493. Investigation of Thermodynamic Properties of the Ternary Electrolyte System Based on Pitzer Model at T=۲۹۸.۱۵

494. Solvent Effects on Protonation and Complexation of Histidine with Molybdenum(VI) in Different Aqueous Solutions of Methanol

495. Thermodynamic study of molecular interactions in binary systems

496. Densities and derived thermodynamic properties study for the binary mixtures of (۱-hexyl-۳-methylimidazoliumtetrafluoroborate + Aminopropanol, or isobutanol) at different temperature with application of the PFP theory

497. Thermodynamic properties study for the binary mixtures of ۳-amino-۱-propanol+ isobutanol, ۲-propanol at temperature range of ۲۹۳.۱۵-۳۳۸.۱۵ K: Experimental results and application of the Prigogine–Flory–Patterson theory

498. Thermodynamics and excess properties of {trichloromethane + amines} at (۲۹۳.۱۵, ۲۹۸.۱۵, ۳۰۳.۱۵ and ۳۰۸.۱۵) K. Experimental results and application of the Flory theory.

499. Determination of macroscopic protonation constants of L-alanine in aqueous solutions of ۱,۴-dioxane

500. Solvent Effect on Tautomeric and Microscopic Protonation Constants of Glycine in Different Aqueous Solutions of ۱,۴-Dioxane

501. Bind ing and s pectral i nvestigati on on interaction of Cu(Pir ox)۲(DMF)۲ with ct-D NA : A T hermod ynamic a pproach

502. Investigation on ct-DNA thermal denaturation in interaction with Cu(Pirox)۲(DMF)۲

503. Experimental and correlated tie-line data for aqueous mixtures of Formic acid with ۲-ethyl-۱-hexanol at T=۲۹۸.۲ K.

504. (Liquid + liquid) equilibrium for ternary system of (water + phenol + cyclohexanone) at T=۲۹۸.۲ K

505. Solvent Effects on Protonation Constants of nicotinek acid in Different Aqueous Solutions of ۱- etanol

506. Solvent Effects on Protonation Constants of trimetoprim in Different Aqueous Solutions of ۱-propanol

507. Thermodynamic Stability of mouse Ribonucleotide Reductase R۲ Protein

508. Study of dielectric behaviour of binary mixtures of cyclohexanol with cyclohexanone at ۲۹۸.۲ K

509. Refractive indices for aqueous solutions of ethylene glycol, D-mannitol, D-fructose, sucrose and maltose at T = ۲۹۲.۱۵ K and atmospheric pressure

510. Study on the thermodynamic properties of binary systems of water + sodium thiocyanate, sodium bicarbonate, sodium acetate and sodium citrate at T = ۲۹۲.۱۵ K and atmospheric pressure

511. HSA-FCCP interaction: Aggregation behavior of HSA-FCCP complex

512. Excess molar volume of Binary mixtures of۲- Butanol , Cyclohexanon,Methylcyclohexane

513. Thermodynamic study of molecular interactions in binary systems

514. Thermal Stability of Hen egg white lysozyme (HEWL) with Ni(II)salen

515. Determination of thermodynamic and thermoacuatic parameter of binary mixtures {methyl acrylate + benzene, + toluene, + o-xylene, + m-xylene, and p-xylene} at different temperatures and application of the Flory theory

516. Complexation thermodynamics of dioxovanadium(V) by calix[۴]arene in solution

517. A DFT study of ۱۷O NMR parameters of Benzyl ethers Components

518. Thermodynamic study of heterogeneous interactions in the mixture of ۱,۲-Butanediol and ۲-ethyl-۱-hexanol through dielectric data at T = (۲۹۸.۲, ۳۰۸.۲ and ۳۱۸.۲) K

519. Thermodynamic analysis of single and two-step oxidative dehydrogenation of propane with carbon dioxide

520. Thermodynamic study of poly(vinyl alcohol) solutions by viscometry

521. The effect of poly(ethylene glycol) on the volumetric and acoustic properties of sodium dodecyl sulfate in aqueous solutions

522. Thermodynamic properties of surfactant Sodium ۱-hexanesulfonate in water and in Aqueous Solutions of Poly(ethylene glycol) at Different Temperatures

523. Thermodynamic study of molecular interactions in binary systems

524. (Liquid + liquid) equilibria for ternary mixtures of (water + butyric acid + organic solvent) at T= ۲۹۸.۲ K

525. Viscosities of Binary Mixtures of N, N -Dimethylacetamide with homologe series of ۲- Alkanols

526. Thermodynamic study of interactions between N, N-dimethylacetamide and homologe series of ۲- Alkanols

527. The study of osmotic coefficient and activity of ۱-buthyl-۳-methyl imidazolium chloride in lithium bromide aqueous solutions and their corresponding binary systems at ۲۹۸.۱۵ K.

528. Thermodynamic study of molecular interactions in binary systems

529. A New Perturbed Hard sphere Chain Equation of State for Binary Mixtures of Refrigerants

530. Volumetric properties of binary systems of benzylamin with methanol , ethanol and ۱-propanol at different temperatures

531. Density calculation for liquid alkali metals over the whole liquid range

532. Thermodynamic properties of three binary systems consist of diethylketone, ۲-butanol, ethylchloroacetate at temperatures (۲۹۸.۱۵, ۳۰۸.۱۵, ۳۱۸.۱۵) K

533. Investigation of volumetric properties of binary mixtures of benzylamine with ۲-propanol, ۱-butanol and ۲-butanol at different temperatures

534. Salt Effect on the Liquid-Liquid Equilibrium of (Water + Phosphoric acid + Dichloromethane or ۱, ۲-Dicholoroethane) Systems at T=۲۹۸.۱۵ K

535. Measurements and Modelling of Quaternary (Liquid + Liquid) Equilibria for Mixtures of (Water + Phosphoric acid + Dichloromethane + ۱, ۲-Dicholoroethane)

536. Modification of TM EOS and application to PPO-PS blend using glass transition data

537. Volumetric properties of PEG-PPG blend by equation of state using surface tension

538. Aggregation Behavior Modulation of Ionic Liquid ۱-Dodecyl-۳-methylimidazolium Bromide by Sodium Salts in Aqueous Solutions

539. Salt Effect on the Aggregation and Thermodynamic Properties of Ionic Liquid ۱-Dodecyl-۳-methylimidazolium Bromide in Aqueous Solutions

540. Equation of State for Alkaline Earth Metals: Prediction from Surface Tension

541. Equation of State and Volumetric Properties of Compressed Liquid Based on Surface Tension

542. Volumetric and Acoustic Studies of the Ionic Liquid ۱-Butyl-۳-Methylimidazolium Hydrogen Sulfate in Polyethylene Glycol Aqueous Solutions

543. The effect of polymer molar mass for the aqueous two-phase systems Containing Polyethylen glycol and Di-sodium hydrogen citrate

544. Phase Diagrams of Some Aliphatic Alcohols + Di-Sodium hydrogen Citrate + Water at T = ۲۹۸.۱۵ K.

545. Estimination of Ternary System (Water + Acetic acid + Cyclohexanol) under Ultrasonic Wave using GMDH-type Neural Network

546. Measurement of Densities, Speed of sounds, and Water Activities for ternary system PEG۴۰۰۰+KNa(Tartrate)+H۲O at different temperatures

547. Vapor–Liquid Equilibria, Density and Speed of Sound of Aqueous potassium sodium tartrate Solutions at different temperatures

548. Prediction of Quarternary System (Water + Acetic acid + Cyclohexane + Cyclohexanone) using GMDH-type Neural Network

549. Application of PHSC Equation of State to PEG and PPG Polymers

550. Binding of alkali metal cations by calix[۴]arene-crown-۶ in methanol a thermodynamic study

551. Conductometric study of the new reactive dye with cetylpridinium chloride surfactant

552. Investigating the behavior of the Imidazolium based ionic liquids using the Yukawa potential model

553. Effect of pH on the phase separation in aqueous solutions containing poly (propylene glycol) and the kosmotropic salt sodium citrate at T = ۲۹۸.۱۵ K

554. Dielectric Behavior and Thermodynamic Investigation of Some TernarySystems at Different Temperatures

555. Investigation of some physical properties of ۱,۲-Ethanediol+۱,۳-Propanediol binary mixtures

556. Density, Viscosity, Excess molar volume of Ethanol Amine with ۱,۳-Propanediol at Temperature of ۲۹۸.۱۵, ۳۰۳.۱۵, and ۳۰۸.۱۵ K

557. Density and apparent molar volume of ionic liquids ([PnMIm]Br) and [HMIm]Br) in the aqueous D-glucose solutions at different temperatures

558. Densities and Excess molar volumes for Binary Solutions of Water + Methanol and + Ethanol from (۲۸۳.۱۵ to ۳۱۳.۱۵) K

559. Densities and Excess molar volumes for Binary Solution of Water + Propanol from (۲۸۳.۱۵ to ۳۱۳.۱۵) K

560. Thermodynamic study of interactions between Dimethyl Carbonate and a homologous series of ۲- Alkanols

561. Study of ionic liquid solvation interactions and thermodynamic properties using gas–liquid chromatography

562. Solute-Solvent Interaction Effects on Protonation constants of Nicotinic Acid in Different Water-Methanol Mixtures

563. Solvent Effects on Protonation Constants of benzohydroxamic acid in Different Aqueous Solutions of ۱- etanol

564. Ionic Strength Dependence of Protonation Constants of Nicotinic Acid

565. Viscosity Prediction for Binary Mixtures by Using Different Models

566. n-octanol/water partition coefficient and solubility measurements of propranolol and atenolol at different temperatures

567. Investigation of some physical properties of Ethanol with diethylenetriamine (DETA) binary mixtures at T = (۲۹۸.۱۵, ۳۰۳.۱۵, and ۳۰۸.۱۵) K

568. Solvent Effects on Protonation Constants of caffeic acid in Different Aqueous Solutions of ۱- Metanol

569. Convexity and Thermodynamic Stability

570. Solvent effects on protonation constants of picolinic acid in different aqueous solutions of ethanol

571. Physical and electrochemical properties of metallic ionic liquids [ Bu۳N Bn] [MClm] (MClm = AlCl۴, FeCl۴, ZnCl۳, SnCl۵, CuCl۳)

572. Thermophysical properties of acidic ionic liquids based on tributylamine at various temperatures

573. Calculation of spinodal density in subcritical region for liquid argon

574. Densities, speed of sound and isentropic compressibilities of three binary mixtures Benzyl alcohol with tert-butanol, ۱,۲-butandiol and ۲-methyl-۱-butanol

575. Thermodynamic denaturation of Į-Lactalbumin presence of cetylpyridinium chloride and hexadecyl trimethyl ammonium bromide

576. Thermodynamic characterization of the betaine and sarcosin effect on Protein stability

577. Phase Equilibrium of Water + Formic Acid + ۱-Heptanol ternary Liquid Systems at T=۲۹۸.۱۵ K.

578. (Liquid + liquid) equilibria in ternary aqueous mixture of Formic acid with ۱-Hexanol at T = ۲۹۸.۲ K.

579. Liquid phase equilibria of (Water + Formic acid + ۱-Octanol) ternary systems at T= ۲۹۸.۲K and atmospheric pressure.

580. The Free Expansion of Har d Sphere Confined Fluid Using DDFT

581. On the C alculation of Surf ace Thickness of Electrolyte Solution s Using Inversion Method

582. App lication o f the GM A equation of stat e to predict the metal-non metal transitio n

583. Gaseous ion mobility of CO+ ions in He and Ne

584. Study o f Structu ral Behavior of H exylamin e at the Interface of Water/Oi l by Mol ecular Dy namics Simulatio n

585. Man y-body and quantum effect s in some thermod ynamic properties and infinite shear modulus of the HFD-like an d Lenna rd-Jones fluids using the radial di stribution function

586. Hydro gen bondi ng in na noconfined water

587. Size effect on z igzag spin couplin g interaction in pr esence o f magnetic field for ۱-D Ising model o f Nanosys tem

588. E quations of State for Density Predictions Based on Me lting Point Const ants

589. Calculation of internal energy o f Argon fluid with hard-core square-well potentia l at diffe rent ther modynam ic states

590. Prediction of compressibility fac tor of Argon fluid with hard-core sq uare-w ell potential at different thermodynamic states

591. Isothe rmal com pressibil ity predic tion for pure compounds

592. Comparison of bulk modulus as Benzene dense fluid using the perturbation theory and comparison with Peng-Robinson equation of state

593. Conforma tional di stribution of ternary complex of Sm +۳ with ۵, ۷-dichloroquinoline-۸-ol and ۴ -vinyl pyr idine [S m (VP)۲ ( DCQ)۳]+۳: A computational stat istical m echanical approach

594. Eval uation of thermod ynamic properties of polyethylene co polymer melts using GM A equation of state

595. Predi ction of t he parameters of the averag e effective pair potential in liquid alkali metals using a new equation of state

596. C alculation of the c ritical po int for th e Ising m odel ove r two-lay er tria ngular la ttice usin g Cellula r autom ata appro ach

597. The critical p oint of t he two-la yer ۳-state Potts m odel over squa re lattice (cellular automata approach)

598. Gen eralized modified SAFT-B ACK mo del for lo ng chain hydrocarbons

599. Stud y of Surf ace tension, Density and V iscosity o f Hexanoic acid by MD Simulat ion and E xperime ntal Meas urement

600. M olecular distribution in a binary solution wit h differen t radii o n a na noscale size

601. Study o f the Properties o f Pure Oil and Oil/Water I nterface by Molecular Dynamic Simulation

602. A symmetric critical behaviou r of binary mixtu res

603. Evaluatio n of Virial Coeffic ients at Wide Ran ge of Te mperature

604. A M onte Carlo simulation of the adsorpt ion of CO ۲ and SO ۲ gases in pure and functionalized si ngle walled carbon nanotubes

605. Adsorption and corrosion inhibition of spearmi nt (Menth a spicata L.) leaves extract on mild steel

606. E lectrochemical determinati on of acetaminophen in the presence of ascor bic acid and propranolol using meta lic Cu na noparticles- Schiff base modified ca rbon pas te electro de

607. Using the Peukert's equation for predicting the dischar ging time of primary silver/zinc battery a t any dis charge ra te

608. A Th ermodyn amic Study on the Binding of Huma n Serum Albumin with Beta Cyclodextrin

609. Application of Multiw all Carbon Nanotu bes and Rutin as a Mediat or for Glutathione A nalysis

610. Capacitive Tran sducer f or Pitting Corrosio n Monit oring of Carbon St eel

611. Thermodynamic i nvestigation of aci d green ۲ ۵ and cationic alky l ammoniu m bromid surfactants with different alkyl chain lengt h

612. The Study of Thermodyna mic Cons ant ΔGr , ΔSr and ΔHr ortho – Qui none and Azid ion by Cycli c Voltam metry me thod

613. N ano SBA۱ ۵ mesop orous: A porous m aterial fo r electrooxidation of metanol

614. Effe ct of org anic additives in el ectroless Ni-P and Ni-P-Al۲ O۳ composite coatings

615. Inhi bitive and adsorption beha viour of some N an d O dono r Schiff Bases on mild steel corrosio n in hydr ochloric acid solution

616. Syn thesis, electroche mical and theoretical studies of New Hydrazonics Schiff Bases as corrosion inhibitors

617. Sonoelectropolymerization of Po lypyrrole-SiC nan ocompos ite coatin gs on mil d steel and corrosion protec tion

618. Stud y the effe ct of car bon active as an ad ditve to the cataly st layer o f gas diffusion electr ode on th e ORR k inetic.

619. Ca racteriza tion of Nickel/Nan o-Porou s Carbon (Ni-NPC) Composite Structures as a new Material for Supercapacitor s by Elelctrochemical Impedanc e Spectro scopy in Aqueous and non aqueous Electroly te

620. Stud y of the c apacitance behav ior of Ni and Ni-Cg electrod es in aqu eous and non-aque ous electrolytes b y electrochemical impedance spectroscopy

621. Fabrication of a Potentiometric Magnesium Ion Selective Electrode Based on Nan o Conducting Polypyrrole Doped With Titan Yellow

622. Activity coefficients measureme nt of KCl +KNO۳ +Water +Proline system b y Pitzer model at T=۳۰۳.۲ K

623. Kinetic study of the oxidation of epinephrine by digital sim ulation of cyclic vol tammograms

624. Kin etic study of the oxidation of dopam ine in th e presence of arom atic amines

625. Conductiv e Polyme ric meso-t etra(p-ca rboxyphenyl)Por phyrin Film electrode for Trace Deter mination of Nickel

626. Kinetic study of electroch emical generation of diphenylamin e derivatives of catechol

627. Applica tion of Ozone-electrolysis method for treatm ent of Reactive Orange ۷ in aque ous med ia by usin g Ti/Sb- SnO۲ anode

628. Thermodynamic st udy of th e ternary (EMIm Cl+HCO NH۲+H۲O ) ele ctrolyte system ba sed on p otentiome tric meth od

629. Thermodynamic study o f ternary [NaCl+Na۲HPO۴ +H۲O] electrolyte s ystem

630. Potentiometric inv estigation of pyridine-۲,۶-dicarboxylic acid an d chelidamic acid - ۲,۹-Dimethyl- ۱,۱۰-Phen anthroli ne compl exes with some m etal ions and comparing w ith solid state results

631. Ni۲+ and UO ۲۲+ ions ,Potentiometric stud y of complexation between Zn۲+ with chel-a acr proton transfe r and com paring w ith solid state res ults

632. Tetra zole derivatives a s effective inhibitors for the corrosion of steel in ۰.۵ M H ۲SO۴ solution

633. Electrochemical investingation o f (۴-bromo-۳-(۲,۴dimethyl p henyl)iso xazol-۵-yl)methanol on the corrosion of Steel in ۱M H Cl.

634. Eff ect of hardness and softness of metals on the c orrosion inhibitor y of porphyrin compound

635. Electrochem ical beha viour of methylene blue dye on the g lassy carbon electro de (GC) in differe nt concentrations

636. Poly(۱-amino-۹,۱۰-anthra quinone) coating on stainless steel by electr opolymerization

637. Electroless nickel plating on A Z۶۱ magnesium alloy

638. Effect of tw o various tempera tures on the electr oless nick el platin g on AZ۶۱ magnesium alloy

639. Ele ctrochem ical synthesis of nanocomp osite of poly anilin e / polyvinyl a lcohol and study its corrosi on

640. Electropoly merization poly D DS / SiO۲ nanopar ticle and its corrosion

641. Ele ctrocatal ytic determination of penicillamine u sing multiwall car bon nanotub es paste electrode

642. Thi rd genera tion glucose biosensor using covalen tly immobilized glucose oxidase onto poly(Aminothiophenol)/ carbon nanotube s electro de

643. Electrocatalytic Oxidation of Dopamine, Ascorbic Acid and Uric Ac id at P oly-۴-Am inothiophenol on the Surfa ce of Ca rbon Nanotubes/GC Electrodes

644. Poten tiometric investig ation of glycine-۲- aminopyr imidine proton-transfer system and its Cu۲+complexes

645. Spec trophoto metric stu dy of the complexation of two new synthetic Schiff ba se with some transition and heavy m etal ions in aceton itril solvent

646. V oltammetric deter mination of cystea mine using multi wall carb on nanotubes pas te electro de in the presence of ۳,۴-dihydroxy cinnaminc acid as a homogeneous mediato r

647. H igh selective and sensitive voltamm etric sensor base on modifie d multi wall carbon nanot ubes paste electrod e and ۳,۴ -Dihydr oxycinamic acidfor determin ation of ascorbic acid

648. Potentiomet ric study of comp lexation b etween C o۲+ and pydc/۲-ap ym proton transfer and comprising with solid state re sults

649. Potentiom etric studies of four new mixed inorg anic-org anic hybr id mate rials-based preyssler and wells-dawson hetero polyoxo metallates someamino aci ds

650. Co-ad sorption effect of oleic imm idazolin e and thio urea on the corrosion of carbo n steel in CO۲-sat urated solution

651. Fabr ication of nickel and Pt-Ni particle/c arbon pa per electrocatalysts for el ectrooxi dation of methanol in alkaline medium

652. Th e inhibit ion effect of a new Schiff ba se on mild steel in ۲ M HCl . A complete study : Adsorp tion, temperature, duratio n and qua ntum ch emical aspects

653. Electrochemical study on the effect of a double Sc hiff base and its cobalt complex on the acid corrosion of ca rbon steel

654. Fe(II I) ion selective electrode ba sed on a new mac rocyclic ionophore as a ne utral car rier

655. Inve stigation of inhibition effect of ۳-(۲-C hloroph enyl)-۴-(۴ -nitroph enyl)-۱H-۱,۲,۴-triazole-۵(۴H) -thione against copper corr osion in ZnO nanofluid

656. Electrochemical oz one generation on the Ti/Sn-Sb-Ni as anode a nd improve ment of electrocatalytic pro perties vi a carbon nano tube

657. Ele ctrochemical Noise Analysi s of Pittin g Corrosion of Al uminum ۷۰۷۵

658. Ele ctrochemical remo val of am monium using ca rbon nanotube-car bon black-PTFE-coated cathode

659. Evaluation of mild carbon steel corrosion in coolin g systems in the presence of Fe۲O۳ Nanofluid and Comparison with the corr osion caused by different concentrations of eth ylene gly col

660. De gradation rate va riance quantity fr m the an ode to the cathode in polymer electrolyte layer in PEM fuel cells

661. The effect of P VP (Poly vinylpyrrolidone) on the electroche mical synthesis of Sn nanoparticl es for lit hium ion batteries

662. Study o f complex ation pro cess betw een ۱۵-crown-۵ w ith Mg۲+ cation in binary mixed non-aqueous solvents using conducto metric m ethod

663. A ne w cluster model based descr iptor for quantitative structure-inhibition relationship: S tudy of imidazole and its derivative s on copper corrosion in N aCl media

664. C luster model based descriptor for quantitativ e structur e-corrosion inhibiti on study of benzen ethiol and its derivatives o n copper

665. Er۳+-PVC Membra ne Sensor Based o n ۳-hydroxy-N'-((pyridin-۲ - yl)methy lene)naphthalene -۲-carboh ydrazide

666. Determinati on of ۴-hydroxybe nzoic acid with cy clic voltammetry and differential pulse method using the el ectrode m odified w ith carb on nanotubes

667. Study of complexation o f cesium( I) and cerium(III) metal ca tions with ۱,۱۳-bis(۸-quinolyl)-۱,۴,۷,۱۰,۱۳-penta oxatridecane in bi nary mix ed non-aq ueous solvents

668. Solvent infl uence upo n compl exation of kryptofix۵ with C e۳+ cation in bin ary mixed non-aqu eous solv ents

669. Electrochemical study of Catal ase Modi fied Electrode in t he Presence of Compatible and Non-Compati ble Osm olytes usi ng Carbon Nanotu bes

670. Stu dy of Poi nt of zero charge effect on oxygen re duction reaction at gas diffusionelectrode in PEMF Cs

671. Pr eparation of carbon paste electrode modified with m-t uloidine in prese nce surfactant containing Platinum nano part icles and its appli cation for electrocatalytic reduction of oxygen

672. Modific ation of electrode surface w ith sulfonated polyaniline

673. modificatio n of electrode surface with sulphon ated poly aniline and Electrosyn thesis of polyaniline

674. Electr ooxidati on of etha nol using synthesized zeoli te modifi ed carbon paste electrode

675. Investigation of electro chemical properties of hetr odimeric nanoparticles (F e۳O۴-Ag, Fe۲O۳-Ag and Fe OOH-Ag ) for determinatio n of gluco se

676. The use of chemically modified carbon p aste elect rode by deferiprone to dete rmine trace amou nt of copper in wa ter resou rces

677. Copper determ ination in drinkin g water by differe ntial pul se voltammetry at a modified carbon paste electrode with magnetic nanoparticles al mond shell

678. Nanostruct ure Cons truction of Au-M PA-Zr(IV )-[DTPA-Fe(III)] Based on E x-Situ Me thod Ch aracteriz ed by CV, DPV and EIS

679. Application of novel voltammetric nano-sensor bas ed on ca rbon nan otubes paste electrode det erminatio n of hydr oxylami ne

680. Influe nce of sodium dod ecyl sulf ate micelles on the Palladium Nanoparticle fo rmation on GNS f or oxygen reduction reacti on

681. The e ffects of electrodep osition m ethods on the pseudocapac itive properties of nanostructu red Manganese d ioxide

682. Preparation of modified electro des using multiwall carbon nanotube s and isop renaline mediator for cyste amine an alysis by voltamm etric me thod

683. Performanc e Prediction of Palladium N anoparticles on Anode of Solid Oxide Fuel ells

684. Ap plication of Au Nano Particles Modified Carbon Paste Electrod e for Simultaneous Determin ation of Tryptoph an, Uric Acid and Ascorbic Acid

685. Differential p ulse voltammetry and cycli c voltam metry detection of furan on platinum El ectrode in aprotic solvent

686. Screen Printed Ca rbon Electrode M odified by Ionic Liquid/ Ag Nanoparticle s for Dete rmination of Met ronidazole in Biolo gical Sa mples

687. Pre paration and Inve stigation of Hydrogen Stora ge Properties of Pd-Ni Nano-alloys for F uel Cells

688. Simultaneous determination of norepinephri ne and acetaminop hen using modified room temperatur e ionic liquid/multiwall car bon nan otubespaste electrode

689. Tet razolic de rivatives as effect ive inhibitors for the corrosion of steel in ۰.۵ M H۲SO۴ solution

690. Voltammetri c determination of L-cystei ne using modified electrode with multi-wall carbo n nanotu bes and ۳,۴-dihydroxycinnamic acid

691. A Comprehensive Study on the Mechanism of Diallyl D isulfide (All۲S۲) Thermal Deco mposition in the Gas Phase

692. Quantum Study of the Ga s Phase U nimolecular Elimi nation Ki netics of ۵-Substituted Groups of Allyl Sulfides

693. Solvent Effects on Proto nation an d Comple xation of Aspartic A cids with Molybden um(VI) i n Different Aqueous Solutions of Methanol

694. Phot ocatalytic activity o f Cu-doped ZnS pr epared by ultrasonic method

695. Effect of ultra sound on ۳-chlorop henol de gradation, compari son with Fenton's reagent effect

696. A Th eoretical Study on the Therm al Unimo lecular Reactions o f cis-۱,۲-Dimethylcyclopro pane and trans-۱,۲- Dimethylc ycloprop ane

697. Kin etic study of electr on detachment reaction for C l- by using of ion mobility s pectrometry

698. Qu antum Chemical and Theoretical Kinet ics Studie s on the H + CO۲ Re action

699. High efficien cy photor eduction o f Nitrobenzene to Aniline over CdS-TiO۲ /based photocatalys ts modifi ed with A mino acid under visible light

700. investigation of dye- surfactan t ion pair formation in aqueous solutio n

701. A dsorption kinetics of congo r ed on cellulose

702. Thermal degradation behavior of Polyvinyl alcohol/Sta rch/Carboxymethy l cellulose biocompo sites

703. M echanoc hemical a ctivation o f carboxy methyl cellulose a nd its thermoplastic polyviny l alcohol/starch bio composites with enhanced ph ysicoche mical prop erties

704. Intra molecular hydrogen bonding in enol fo rm of ɑ-su bstitution of (Z) -۴, ۶-dioxo-۶-phenylhe x-۲-enoic acid [ZDP EA]

705. Kinetic study of Pb۲+ a dsorption on the polypyrole/ HMS nano composite

706. Kineti c study of DPPH sc avenging i n the pre sence of Taxol as an anti can cer , Asc orbic Acid as an antioxidant and mixtu re of the m

707. Kin etic and Thermody namic stu dy of Mol ecule ۶-A mino-۳-H ydroxy-۳, ۴-Dimet hyl-۱-Phe nyl-۲,۳- D ihydropyrano[۳,۴-C]Pyrrole-۷-Carbonitri le in the gas phase

708. Kinetic study ofreaction of -nitro-۱H -benzo[d]imidazol e to produ ce۶-nitro-۱H-benzo[d]imidazole

709. Ultrasonic degradation of ۲-hydrox yethylcel lulose: Eff ect of molecular mass, concentration, volume an d power in put

710. Thermod ynamic an d kinetic study of a dsorption Direct red ۸۱ o n Chamo millaMatricaria

711. Acid hydrolysis of ion-complex Azidopentaamine Cobalt (III) in differe nt concentratio ns of Sulf uric acid

712. A ki netic stud y on melti ngof diphenylamine by therm ogravimetric analysis

713. Effect of poly-HE MA hydrophilic gel matrix on photo-ph ysical behavi or of Thionine

714. Solvent effects on the absorption spectra of Co(II)- tetrasul fonated phth alocyanin e

715. Thermodynamic and kine tic investi gation of Cationic dye removal from textile waste wa ter via C MK-۳

716. Thermodynamic and Kinetics inves tigation of adsorpti on of anionic surfactant sodium d odecyl sulfate using spent tea leaves

717. The role of Form ation Chemically Activated Intermediates on th e Mechan ism and Kinetics of the Reaction of M ethoxy Radical with Hydroxyl Radical

718. Interp lay between inter and intra molecular addition of n-methylaniline a nd side-chai n amine g roup of ne urotrans mitters

719. Investigation of t he Antibacterial activity of Cu, Ag, and Au-modifiednanocomp osites con tain a ma gnetic cor e-polymer ic shell

720. Kinetic study of reactive oxygen sp ecies pro duction u pon photoexcitation of sun care agents suc h as TiO۲, ZnO an d ZrO۲

721. Kine tic Study of Reactive Oxygen Species by Using ۲, ۷-dichlorofluoresce in Diacetate Assa y

722. Ab initio compu tations o n zigzag (۱ ۰,۰) carbon nanotu be-phosphoryl halides

723. Grafted zigzag (۱۰,۰) carbo n nanotu be with ph osphora mides

724. P hotodegradation of Acid Ora nge ۷ over AgBr/TiO۲ Nanoc omposite u nder UV Light Illu mination

725. A Theoretical Study on the S olvent Eff ects in per icyclic Re actions Part I: ۳,۴-Di methyl-۲, ۵-dihydrothiophen-۱,۱-dioxid e

726. Molecular Photochromic Sys tem: Experimental Investigation of Nickel(ll)Dithizonate in D ifferent S olvent by Diode Laser

727. Laser Induced Tunable Photochro mism of Dithizone v ia Metal Coordinat ion

728. Kinetic of Son ocatalytic degradati on of Met hylene blue

729. Kinetic stu dy of degradation of methyl ene blue by Fenton process

730. K inetically dimeriza tion of Į- methylstyr en by H۶ P۲W۱۸O۶۲ catalyst: Te mperatur e and time aspects

731. Macr oscopic an d Micros copic Prot onation C onstants of Alanin e in Aque ous solutions of ۱-pro panol

732. Mec hanism of Stable Phosphonate Ester Derived from ۲-fluro Anilin: a Kinetic Study

733. Solvent po larity, hydrogen-b onding and solvophobicity eff ects on the nucleophilic substituti on of benzenesulfonyl chloride with ani line in aqueous and non-aqueous solutions of methanol

734. Linear and Non-linear Free Energy R elationships in Nu cleophilic Substituti on Reactio n of ۲-Bromo-۵-Nitrothioph ene with Morpholin e

735. Kinetic investigation of ph otocatalytic decolorization of a metach romatic dye usin g nano-structure zinc oxide at buffer solution

736. DFT Study of kinetics and thermodyna mics of proton tra nsfer and proton-bo und dimer formation of methyl isobutyl ketone and ۲,۴- dimethyl p yridine

737. Electrochemical and morphological study on green nano-ceramic reinforce d convers ion coatin g

738. Theor etical Investigation of the Th ermal Unimolecular Decomp osition of Ethy lacetate

739. The st udy of pho to degrad ation kinetics of P VC-TiO۲ n ano-com posites and determination of their hydroph obicity under artific ial UV radiation

740. Equilibrium isotherms a nd kinetic for adsor ption of methylene blue from aqueo us solutio n on activated carb on prepared from w ood of kh injuk tre e

741. (Liquid + liquid) eq uilibria for phosph oric acid with dich lorometha ne and water using GMDH-t ype neural network

742. The photodegradation o f ۴-nitrop henol at presence o f Fe۲O۳ and Fe۲S۳ nanoparticles as photocatalyst

743. Humidity and scaning rate effects on the glass t ransition ( Tg) of ABS (acrylonitr ili butadiene styrene)

744. Soli d-state kin etics calculation of a new sy nthesized oxovanadium(IV) com plex using differential scanning calorimetry

745. Photodegradation of methylene bl ue using -doped nano structures prepared by microw ave irradiation method

746. Preparation and c haracteriz ation of S b-doped ZnO nanostructures by a simple and green r efluxing m ethod

747. Visible li ght degra dation of methylene blue using Sb-dop ed ZnO n anostructu res prepared under m icrowave irradiati on

748. Study of structural and magnetic prop erties of nanoparticles manganese ferr ite synthesized b y laser ab lation

749. Studies of Kinetic and Thermo dynamic of competitive adsorption Of Cu+۲ and Zn+۲ on modified multi-walled carbon nanotubes

750. Prepar ation and properti es of nanorotaxane from a-C yclodextrin and Poly (ethylene glycol) with Poly ( vinyl alco hol)

751. Novel microfibers of rotaxan es from the Inclusion Complex Reactions of a, β, ƴ-Cycl odextrins with copolymer of poly(thiou rethane)

752. Microwave-assiste d method for preparation of Sn-doped ZnS nano structures in water and their photocatalytic activity

753. Investig ation of K inetic isotope effects on reaction of me thane with radical of thrifluo romethane

754. Study on the ad sorption of caffeine on magne tic nanoparticle coupled wit h carbon prepared from almond nutshell

755. Thermodynamic investigation of the removal of titan yellow dye fr om aqueo us solution

756. Rheology and morp hology of Polyami de/Polyeth ylene ble nds filled with different clays

757. Kinetic of De composition of Hydrogen Peroxide Ove r MnO۲ a nd MnO۲ Suported on -Al۲O۳

758. Complete Gas-Phase Proton Microaffinity Analysis of Hematoxylin. A DFT Study

759. Studi es on the Adsorptio n Kinetics for the Removal of Methyl Orange using Modi fied Sawdust

760. Rem oval of bromo phen ol blue from aqueous solution on activated carbon prepared from w ood of astragalus b isulcatus tree: kinetics and is otherm st udy

761. Solvent p arameters effect on the rate constant of the solvolysis of ۲-chlor o, ۲-meth yl propan e in aqueous soluti on of alcohols

762. Modifi cation of sawdust a nd using for remova l of Pb : kinetic an d real sam ples studies

763. The effect of ligand subs titutions on catalytic activity of Heme – Imidazo le deriv atives – SDS complex as a nano artificial enzymes

764. Ther mokinetic s Modeling of Claus Furnace Unit in th e Presenc e of NH۳ for D etermining the Opti mum Op erating C onditions

765. Remov ing Crystallization Water of Holmium Nitrate: Drying vs. Degradation

766. Kine tics, Isoth erm and Thermod ynamic Studies of A dsorption of Blue ۵ ۶ From Aqueous Solution onto Sea shell Powder

767. Kine tics, Isoth erm and Thermod ynamic Studies of A dsorption of Blue ۵ ۶ From A queous Solution ont o Barley straw

768. Efficient rem oval of phenol using sonicate d MCM-۴۱

769. Preparatio n and cha racterization of Fe۳O۴/ZnO core/shell magnetic nanoparticle s

770. Effect of pH and ionic stre ngth on p hosphorus remova l from aqu eous solution by TiO۲ nan oparticale modified

771. Ads orption properties o f CO on (۴,۰), (۶,۰), and (۸,۰) zigzag si ngle-walle d carbon na notubes: a density functional study

772. The photocatalytic degradation of methylen e blue on the surface of sol-g el p repared n anostructured ZnT iO۳ and Zn۲TiO۴

773. sunflower seed hull adsorbent for removal of reactive red ۱۹۸: kinetics a nd isot herm study

774. MP۲ c ompariso n of the effect of Flu orine and Amine groups on kinetics th e of carbocation formation

775. Kineti c study of the cataly tic methane dry re forming t o synthesis gas over Fe-V۲O۵/Z rO۲ Catalyst

776. Li near corre lation between ther mal conductivity e nhancement and flu id adsorption in water nan ofluids at different temperatures

777. Growth and character ization ofnanocrys tallineCdS e thin fil ms depositedBy c hemical b ath depo sition method

778. Gro wth techn ology, X-ray and op tical prop erties of NanocrystallineCdS :Cu prepared by Chem ical Bath Depositio n Method

779. Adsorption k inetics models for Cd(II) re moval by Thiol-Nanosphere i n a single compone nt system: Error analysis

780. On the Bin ding of Mercaptop urine to Cucurbit[۷]uril Ho st: DensityFunctio nal Investigations

781. Adsorption behavior of ۶-Mercaptopur ine drug on the C۶۰ fullerene nanocage: a first-principles stu dy

782. Photocatalytic degrad ation of n onionic s urfactant from wast ewater us ing Zinc ox ide nanoparticles

783. Syn thesis an d investig ation the catalytic behavior o f Cr۲O۳ n anoparticles

784. Experiment al evaluat ion of silic a nanoco ntainers and smart coatings for active corrosion p rotection of alumin um alloy

785. Ben zotriazole Contained in the H olloysite Nanotube s Using Di fferent M etal Ions as Stoppers

786. Molecular Dynamics Simulation of th e Melting Behavior of Cs-Na Bimeta llic Nanop articles

787. Stud y of physical chemi stry properties of p olystyrene and car bon nanotube as phase change m aterials u sing mole cular dyn amics sim ulation

788. Ul trasonic-assisted m ethod for preparation nanop articles of Cu-dope d Zn S in water

789. The study effects of Ga and As-doping in Armchai r and Zig zag forms of boron ph osphide n anotubes

790. Preparation, Characterization and Contr ollable Sy nthesis o f Nano Zero Valent Iron Par ticles

791. Stabilization study of P hotodegra dation of acrylonitrile–butadiene–sty rene (ABS )/TiO۲ po lymeric nanocomp osite

792. A th ermodynamic study and characterizations on F e۳O۴ nanoparticles and coated with human and bovi ne serum albumins

793. Measurem ent and Modeling of Volum etric Properties of Nanofluid Containing Fe۳O۴ Nanoparticle, Poly( ethylene glycol) and Water

794. Inve stigation on Rheolo gical Properties of Nanofluid of ZnO Nanoparticles Di spersed in Poly(eth ylene glyc ol)

795. I nvestigati on of adsorption CO and O۲ gasses on i nside and outside of single-wall carbon ۲۳۴۴ano tube surfa ce Using DFT Calculations

796. A fa cile appr oach for t he synthes is of MnF e۲O۴ nan oflakes with low po wer ultras onic irradiation

797. The Effect of Polymer Conformations on the Heat Flow in Nanoconfined Polymers

798. Thermal P roperties and Kinetic Analy ses of Novel Highly Energetic Re active M aterials-Nano versus Micron Composites

799. Separation of CO۲, N۲ and CH۴ in Gases M ixtures by Single-w alled Silicon Carbide Nano tubes: a GCMC Study

800. O ptical and Structu ral Prope rties of Zn S Quantu m Dots Fabricated by Sonochemical Method

801. The e lectrical p roperties of GDE/ DGA/nan o-Al۲O۳ system

802. The nan o-Al۲O۳ e ffect on glass transition temp erature of a new na nocomposite based on glycerol diglyci dyle ether: An EIS and DMTA study

803. Mole cular dyn amics sim ulation of the melt ing proces s in Ag۲۷ Cu۱۳ core-shell nanoalloy

804. In vestigatio n on elect rochemica l behavior of poly (o-amino p henol/na no SiO۲) fil ms synth esized by cyclic voltametry

805. Synthesis a nd Chara cterization of Polyv inyl Acetate/Mont morillonite Na nocomposite

806. Ads orption of Ethane on Pristin e and Ni-d oped Sin gle Walle d Aluminium Nitride Nanotube

807. Th eoretical approach in the stu dy of the adsorption process e of Carb on monoxi de on Alu minium N itride nanotube

808. Synthesis and investi gation the catalytic b ehavior of ZnO nan oparticle

809. Correlatio n betwee n the theoretical ch emical co ncept of electrophilicity index for fu llerene de rivatives as accept ors and op en-circuit voltage inpolymer-f ullerene s olar cells

810. Ost eoinductio n of Mesenchymal Stem Cell in nano bioactive glass scaf fold implante d over rat Calvaria

811. Bioc ompatibility and Antibacter ial Activity of Nanosilver enhanced PLGA Cond uits for P eripheral Nerve Re pair

812. Pre paration and char acterisatio n of nicke l nanopa rticles grow on bee wax

813. Voltammetric Determination of Phenol Based on Ni-Cr-Al LDH Film Modified Glassy Carbon Electrode

814. Electrochemical detec tion of Gl ucose on a Ni/Cr L DH mod ified elect rode

815. SnSNa nocrystalline Thin F ilms:Com positiona l, Structuraland Opti calproper ties

816. Study of Elect rochemica l Properties and Fr ee Energ ies of Electron Tran sfer a nd Reduc tion Potential for f ullerenes of C۲۰–C۳۶

817. Coarse-grained computer simulati on of nano confined water

818. Com plexation of C۶۰ derivative as a carbo nic anhyd rase nan oscale enzyme inhibitor

819. Synthesis and charac terization of nano powders of Li(۱-y) Co(۰/۳) Ni(۰/۴-x)M n(۰/۳)Zn(x)M g(y)O۲ cathode materials via sol-gel and Freeze drying methods

820. Synthesis of n ano SBA- ۱۶ using extracted s ilica source of stem cane ash and its application for electr ocatalyti c oxidatio n of meth anol

821. Design an d Measure ment of novel Nanotube(۶,۶) and Cali x[n]arene derivatives Therm odynamic Functio n as drug delivery by DFT

822. Prepa ration and Investig ation of N anostructured Zir conia

823. Synthesis of mesoporou s SBA-۱۵ nanopar ticles using stem sweep ash silica for adsorptio n kinetics of the cationic dye, Azure B, from aqueous solut ion

824. Phosphatide adsorption from the neutraliz ed soybean oil by bleaching earth modifie d whit nanoclay

825. Effect of t he Au Catalyst on G rowth of Carbon N anostructures with Methanol via H FCVD

826. Ph otocatalytic degrad ation of co ngored under UV and Visible light using Mo and S codoped TiO۲ nanoparticles

827. Sy nthesis a nd characterization of polyaniline/HM S nanoco mposite an d study of its activiy for sorption of Ni۲+ fro m wastew ater

828. Stu dy of photocatalytic activity o f CoO nanoparticl es in phot odegradation of ۲- nitrophenol

829. Density Fu nctional T heory Stu dy of Sulfur Dioxid e Adsorption on the Internal and External of the Single-Wall Carbon Nanotubes

830. Synthesis a nd chara cterizatio n of CdS quantum d ots cappe d with the different amino acids and thioglicolic ac id (TGA).

831. Preparation, cracteractise a nd compare thin film of nano particle Lanthanum yttrate with tem perature v ariations

832. A compar ative study on structure and microstructure of zinc ferrite nanopo wders prepared using different fuels

833. Investigation Effect of pH Va riation in preparation and c ontrolling of Zn spinel fer rite nanocrystallite s size

834. Treatment of carbon nanotubes by KOH fo r removal of fluoride from w aste water

835. Co۳S۴ Nanocrystals: Hydroth ermal Syn thesis, Ch aracterization, and Formation Mech anism

836. In vestigatio n of the interaction of carbon dioxide fl uid with internal a nd external single-wall carbon nanotubes by DFT

837. Sy nthesis of Ni-Al-Feternary layered double hyd roxides Prepared By Coprecipitation Method

838. Sy nthesis of Ni-Al la yered do uble hydr oxide as a nano-sor bent and its applic ation for extractio n of Para amino benzoic acid from pharmaceutica l and healthy prod ucts

839. Im provement of photocatalytic activity an d stabilit y by immo bilization of TiO۲ o n the hexagonal me soporous silicate

840. P hysical Chemistry Study of L nEmLn Block Copolymeric M icelles fo r Protein Delivery

841. Stu dy of ther mal decom position kinetics o f multi-wa lled carb on nanotu bes fun ctionalize d by acidic groups using the rmogravi metric ana lysis (TGA)

842. Preconcentr ation and speciation of chro mium spe cies in env ironmental water an d food samples usi ng a novel magnetic activated carbonnan ocomposite couple d with FAAS

843. Excitation of particl e plasmons in metal nanoallo y

844. Synthesis of ZnO nanoparticle and inv estigation of its influence on p hotodegradation of Rhodami ne B pigments in thin polyeth ylene film s

845. Inve stigation the density of states in presen ce of a magnetic field parallel to the nanotube axis

846. Medium cont ains metal nanopart icles as m eta-mater ials

847. Syn thesis an d Application of po lyaniline/ Multi walled Carbon nanotu be nanocomposite f or electro chemical determination of fol ic acid

848. Excited state of impurity binding energy i n symmetrical multiple quantum dots Ga N under electric and magnetic fields.

849. Eff ect of time dependent electric field on quantum dot in the presence of impurity and magnetic field

850. Th e role of i mpurities on the pr operties o f electron transport through the metal / Diamantane /metal system : Green’s function approach

851. Kinetic st udy on photocataly tic degradation of m ethyl orange using microwave- assisted synthesis o f ZnO nanoparticles

852. Physicoc hemical Study on a System Consisting Interp olymer com plex and Carbon Nanot ube and Its Applicatio n in Drug Delivery system

853. Influ ene of pH on Structural Pro perties of Mn Ferri te Nanopa rticles via Sol - Gel Combustion Method

854. Structural and Magnetic Proper ties of MnFe۲O۴ na noparticles Substitu ted by Co۲+

855. Tuning Localize d Surface Plasmon Resonan ce of Nano shells for Biolo gical App lications

856. The Adomian method for nano-sized mod el including Murrel- Mottram potential and Casim ir force

857. Effects of External Electric and Magn etic Fields on the Linear and Non linear Op tical Pro perties in a Quantu m Pseudodot

858. Corr osion stu dy of nan ocomposite epoxy / metal in an alkaline environment

859. Corrosion r ate of nan ocomposite epoxy / metal in an acid en vironment

860. H ydrogen adsorption of Single- Walled Nano-Cone s: a Gra nd Cano nical Monte Carlo Study

861. Study of quantum of absorpti on of toxic gases in the air by the open nanocone coup ling with the iron a tom

862. Th eoretical study of NO adsorption on the surface of Nanotube doped by Ga

863. Syn thesis an d Characterization of Co/Fe/ Sn Nanow ire array s in Alumi na Templates

864. Eff ect of annealing tem perature on magne tic properties of [C o۷۰Fe۳۰]۹۷ Sn۳ nanowire arrays

865. Removal of Organi c Pollutants from W ater by M ultiwalled Carbon Nanotub e/ Poly(ethylene gl ycol)/ β-C yclodextrin Nanocomposite

866. Physicochem ical stud y on a new drug na nocarrier made of chitosan a nd h ydroxypropyl-β-cyclodextrin

867. A Study upo n the modern Fabrication M ethod by means of TiO۲/PbO۲ N anofibers via Elect rospinnin g

868. Stud ying the e lectrical c onductivity of magnetite nan ofluid using SW model

869. Grand Canonical M onte-Carlo Simulation of M onomeric Alkaloids inside VO(bdc) Metal Organic Fram ework

870. Improving Benzene Storage Capacity of Al(O H)(bdc) M OF by F unctionalization of ۱,۴-benze nedicarboxylate with Lit hium usi ng GCMC Simulation

871. Gelatin/nano-bioactive glass as macroporous nanocomposite nerve con duit

872. Rem oval of P b۲+ by Magnetic Iron Oxide N anoparti cles Modi fied with Poly Thioph ene-۳-acetic Acid

873. Photo-physical Characteristics of ME-Capped CdSe Nanoprticles Syn thesized by Wet-Chemical Route

874. Enhancement of ferro magnetic and dielectric prop erties in barium an d lanthanum dop ed nano powedrs BiFeO۳ by sol-gel synthesis

875. Synthesis of multiferroic BiFeO۳ nanopowder by sol-gel process

876. Deposition O f Nanocrystalline Z nS:Cu T hin Films by Chemi cal Solution Method

877. The effect o f Mn sub stitution o n structural and magnetic pr operties o f strontium he xaferrite n anoparti cles

878. De termination of diff usion coefficient of chloride in reinforced concrete containing nano SiO۲

879. Th e influenc e of nano SiO۲ on the rate of corrosion of steel embedded in reinf orced concrete

880. Non –Pt nanoparticle s as catho de for passive dire ct methanol fuel cells

881. Syn thesis and characte rization o f LiFePO۴ nanopar ticles via h ydrothermal method

882. Synt hesis and Characte rization of LiFePO۴ Nanoparticles via Hydrothe rmal Method

883. Theoretical Studi es of the F ree Energ ies of Electron Transfer in Nanostructure Complexes of Cis- Unsaturated Thiocrown Ethers and A ۱۸-Membered Op en-Cage F ullerene [X-UT-Y][ ۱۸-MOC-C۶۰]

884. Interaction of Functional A mino Acid s with Go ld NanoParticles; Theoretical and E xperimen tal Invest igation

885. Inter action of Amine Co mpounds with Gold Nanoparticles; T heoretical and Experim ental Investigation

886. Effect of doping and defects on t he electro nic struct ure of graphane:A first principle study

887. Investigation of Adso rption of p ure Acet aminophen on carbon nanotube

888. Investigation of Ad sorption of pure N aproxen on carbon nanotube

889. Biogas Adsorption-B ased Sep aration by Metal O rganic Fr ameworks: a Gra nd Cano nical Monte Carlo S tudy

890. Hydrogen Physisorption of Cu-BTC and Zn-BT C metal-organic fra meworks: a Molecular Simulation Approach

891. Effect of calcination tempera ture on st ructural and morphological properties of cobalt ferrite na nocrystals prepared by co-precipitatio n method

892. A compar ative study on the s tructural, morphol ogical and magnetic properties of cob alt ferrite nanoparticles synt hesized by sol-gel autoco mbustion and microwave me thods

893. Nano-Hydroxyapatite S upported MoO۲(acac) : Structure Cha racteriza tion and Catalysis for Cyclooctene Epox idation

894. St atistical p roperties of Plasm a Enhance d Chemic al Vapor Deposition na noparticles

895. Poly terthiop hene Mn( II) is a ne w nano biosensor of bilirubin: A quantum mecha nical approach

896. Characteri zation of Cysteine C oated Ma gnetite Nanoparticles as MR I Co ntrast Ag ent

897. Preparation of ZnO nanostructure thin f ilm on the glass and study of its ability for adsorption of Cu۲+ f rom aque ous solutio n

898. Co pper iodid e nanopa rticles im mobilized onpoly(۴-vinyl pyri dine): a new and green catalyst for click synthesis of ۱,۴-disubstituted-۱,۲,۳-triazoles in water

899. Synthesis and Cha racterization of ma gnenic na nohollow spheres

900. Degradation of an orga nic dye at acidic, n eutral and basic buffer solutions by photocatalytic process in the presence of titaniu m dioxide nanoparticles

901. Bi ological Effects of Surfactants (SDSˬCT AB ˬTriton X-۱۰۰) Used in the Preparation of Na no Fluids

902. Study of th e Biocidal Effects of Nanotube Single W all, Nano tube Multi Wall, Fe and Al۲O۳ Nanoparticles by B iosensor

903. An Investig ation of g rowth time effect on morphological an d structural properties of SiO۲ na nowires d eposited by thermal evaporation method

904. Sy nthesis, Determination of phy sicochemical prope rties and cytotoxic ity study of Mit oxantrone loaded m agnetic nanoparticles

905. Im mobilization of cobalt over f unctionalized magnetic nono particles for liquid phase oxidation o f cyclohexene

906. DOS Spectr a and NBO Analysis of the N O۲Surface Interactions on th e Cyclic (WO۳)n (n=۲-۶) N ano-Clusters

907. Removal o f benzoic acid, p-ni tro phenol and resorcinol fro m aqueous solutions by modifi ed maghemite nano particles

908. Nan o Filtration for Wat er Treatm ent

909. Structural, magne tic, and f erroelectric properties of BiFeO۳ and BiFe۰.۹۶Co ۰.۰۴O۳multiferroics

910. Preparation of Co۳O۴ Nanopa rticles by Thrmolysis of Nove l Complex Containin g Bithiazole Rings

911. Synthesis and characte rization o f Cobalt Sulfide Nanostructures via Direct Thermal Decomposition

912. Spectroscopic Studies of Silver (A g) Nanocrystalls Using Biolo gical Process

913. E nhancement solubility of poo rly water soluble oxcarbazep ine drug b y nanoporous al umina as a nano carrier

914. Catalytic Epoxidati on of Cyclooctenew ith Vana dium-oxo- Sulphate Support ed on Am in Functio nalized Nano-Boehmite

915. Catalytic Application of Molybdenum Hexa-Car bonyl Sup ported on Functionalized Nano-Boehmite

916. Synthesis an d study m agnetic p roperties of NiFe۲ -xGaxO۴ (۰ x ۰.۳) ferrite nanoparticles

917. Enhance ment of Active Cor rosion Pro tection of epoxy coating via Com bination of Inhibitor-Loade d Halloysite Nanotu bes

918. Thermod ynamic p roperties of carbon chiral na notubes a nd their dep endence o n molecular diameter

919. Th e relations hip study of numbe r of carb on and m olecular diameter with quantum des criptors in some cha iral carb on nanotubes

920. Ultrasonic – assisted S ynthesis and Char acterizatio n of a New Bulk an d Micro Structure of Mixed – L igand Zi nc (II) Co ordination Polymer

921. Prep aration and evaluation of th ermally stable nano–structured self–do ped polythiop hene coating for an alysis of tr ace levels of phthalate esters

922. The Synthesis of TiO۲ N anopartic les in order to Ads orption of Hg (II)From Aqu eous Solutions

923. Corrosion study of nanocomposite epoxy / poly aniline on copper electrode surface

924. Co rrosion s tudy of na nocomposite epoxy / steel polyvinyl alc ohol on t he electrode surface

925. Electrochemi cal study of nano composite p oly DDS / SiO۲ nan oparticles on t he surface of coppe r electrode

926. Ele ctrochemical study of nanocomposite poly aniline / polyvi nyl alcohol in an acid environment

927. Ev aluation of corrosion rate of nanocomp osite epox y / polyvinyl alcoh ol - Poly aniline on t he electro de surface iron

928. M ethanol oxidation on the GC electrod e surface modified with nano- pa rticles Fe۲O۳

929. El ectrocatalytic oxid ation of L -cysteine at A nano -structured copper(II)– Schiff base c omplex multiwall carbon na notube modified glassy carb on electrode

930. Kinetics of Oxidation of Bio-et hanol in wastewater u sing nano CuO/ZnO Catalyst

931. Hy drogenic impurity effects on refractiv e index changes and absorpti on coefficients of a cylindrical quantum wire with a convex botto m in magn etic field

932. The oretical Study of El ectron Tr ansfer Pro cess Betw een La۲@C۷۲(Adaman tylidene Mono-Ad ducts) and Erythro mycines

933. S olid-state ion selective electr ode based on modified nano c onductiv e polymer

934. Application of a nan o sized TD -TiO۲ in a sono assisted phot o-catalytic process

935. Alignment In dependent ۳D-QSA R Modeli ng of Full erene (C۶۰) Solubility in Different Organic Solvents

936. The effect of process fac tors on p article siz e of nanostructured lipid car riers contain ing beta c arotene

937. Low temper ature pre paration of TiO۲/Activated ca rbon nanocomposi tes

938. S ynthesis of SO۴۲-/ TiO۲ and SO۴۲-/ TiO۲/SiO۲ as nano-catal ysts for O -acyla tion of ph enol

939. Template Extraction from Mesoporou s MCM-۴ ۱ Nano-Structredin Different Solvent in present of Ultraso und Wave

940. Elec trodeposition of silver on mu lti wall ca rbon nanotubes m odified gla ssy carbon electro de for sen sing and study of hydrogen peroxide d ecomposition

941. DFT Stud ies of Inte raction between Main Grou p Metals a nd B۹N۹ Nanocone using by Electron Paramagnetic Resonance (EPR)

942. E ffect of Eu concentration on photoluminescent p roperties of sol gel - derived nanocrystalline SrZn۲Si۲O۷ as a p otential p hosphor f or solid statelighting

943. Molecular Dynamics Simulation Study of Thermal P roperties of the Au, Ni and AuNi۳ Nano wires

944. The effects of process p arameter s on the p hoto-phy sical properties of a nanocrystalline b lue-emitting phosphor

945. D ense coating of surface mounted CoW O۴ nanostr uctures on silk yar n, prepared by layer-by- layer method under sonicati ng

946. Sy nthesis and Characterization of Ag Na noparticle@Acrilic fiber Und er Ultraso und Irra diation

947. Electrosynthesis of polythiophen e nanowires on Anodic Alum inum Oxide Template

948. Tunnel m agnetores istance of the syste m of ferro magnetic electrode/ Diamanta ne/ferrom agnetic electrode: A Greens function approach

949. Eff ect of Magnetic Fie ld on the Liquid-Liquid Extr action with Magnetic N anofluid s

950. The kinetic Study of polyaniline-alumina nanocomposite to so rption te xtile azo dye from aqueo us media

951. sorption of React ive Red ۱۹۸ from aqueous so lutions by Al۲O۳ nanoparticles; A kinetic study.

952. Removal of reactive o range ۱۲ by copper sulfide na no particle loaded on activate d carbon: kinetic an d isother m study of removal process

953. The Evaluation of Research tools i nventions patentability in nanobiotechno logy

954. Intellect ual Prope rty of Nan otechnolo gy in Rel ated International D ocument s

955. Selective adsorption of asc orbic acid on molecularly im printed nano composit s of mesop orous silica SBA-۱ ۵/ polypyr role

956. Synthesis of Fe ۲O۳/polyaniline co nducting nanocom posites

957. Sim ple hydr othermal synthesis and chara cterization of high surface area niobia

958. Synthesis of i mmobilized molybdenum on carbon nanotubes supported and study of it s catalytic activity i n the oxidation of m ethylphe nyl sulfide

959. Preparation Functionalized Carbon na notubes supported Dioxobis (acetylacetonate) Molybdenum C omplexes and its c atalytic ap plication for the epoxidation of alkenes

960. Quantitative investi gation of structural paramete rs contri butions on anthraquinones sol ubility in SC-CO۲ by QSAR coupled to ANFIS

961. Application of modi¿ed nano-alumina as a solid phase extrac tion sorb ent for the preco ncentration and sim ultaneous separati on of Cu, Cd and Z n in water to flame atomic abs orption spectrometr y determ ination

962. Synthesis of m olecularly imprinted nanoco mposits mesoporou s silica S BA-۱۵/p olyaniline for ۲,۴-d initrophenol

963. I nteractions of Dox orobocin Anticancer Agent with Different Sites o f Graphene by Using Quantum Chemical Methods

964. D ensity Fun ctional St udy of Do xoroboci n Adsorption on Boron Nitri de N ano Sheet

965. Effect Impro ving nail and screw withdra wal strengths of ori ented strand bo ard (OSB) made fro m underu tilized lo w quality paulowni a (paulow nia fort unie) woo d employing nano-S iO۲

966. Eff ect of nan oclay on screw and nail withdrawal of strengths of oriented strand boa rd (OSB) made from underu tilized lo w quality paulownia (Paulow nia fortun ei) wood

967. Synthesis Nano sizeMeta stable tetragonal Zirconium Oxide

968. pH Affect on the Structural a nd Morphological Properties of Barium Hexaferrite Nanopa rticles Synthesized by Co-precipitatio n Method

969. Leaching of copper ۰xide nano parti cles from recycling sources

970. Sy nthesis and Characterization of Sol-gel derived S iO۲-CaO-P۲O۵-Zn O Bioglass

971. Investigating the effect of nanosilica partic les on mechanical properties of OCC fibe r-HDPE C omposite

972. Synt hesis of T iO۲ –y-Al ۲O۳/ SO۴۲- solid acid nanocatalyst with impregnation me thod and its catalytic property

973. U sing Gold nanoparticles as a solid carrier for lum inant molecules as a biocompatible label

974. Synthesis P latinum- Polymer N anocomp osite by using Microemulsio n System

975. Stu dy Contact angle of water d roplet wit h the surface of graphene oxide

976. Electropo lymerizat ion and characteri zation of poly (anil ine-co-N- met hylaniline)/ silver n anocompo site

977. Electroc hemical study and characterization of copolyaniline/Ag nanocompo sites as co nducting polymer in fuel cel ls

978. Hydrothermal and Sonochemical Synthesize of nano TiO ۲ by Acid Leaching

979. Adsorptio n Isotherm Study o f Ketotife n on Multi -Walle d Carbon Nanotube

980. A dsorptio n Isotherm Study of Loratadine on M ulti -Walle d Carbon Nanotube

981. Influence of O rganoclay on Compatibility of Different Ratio of Immiscible (S BR/NBR) Rubber Blend

982. Fab rication o f NanocrystallineLa ۰.۶Ca۰.۴M nO۳mang anitesby sol-gel method and stud y of Magnetocalori c effect from indire ct measu rements

983. De pendence of magnet ic properties of cob alt ferrite nanoparticles on b all m illing time

984. Selective acet ylation of alcohols a nd phenols with recoverable nanocatalyst

985. A ZnO-nanoparticle-promoted synt hesis of oxazole derivatives

986. Effect of nano zinc oxid e on the h ind limb bud NMR I mouse e mbryos at in vivo conditio ns

987. Advanced Isoconversional and Master Plot An alyses on Thermal Degradation Kineti cs of Nano camposite Reinfor ced with O ctasilane Polyh edral Oligomeric Silsesquiox anes

988. Oxidized multiwalled carbo n nanotubes as efficient adso rbent for ۲- (۴,۵-Diphenyl- ۱-H -Imidazol- ۲-yle)۴- N itrophen ol

989. Theoretical study of st ructural and electronic properties of single walled pure Silicon a nd Boron -Silicon n anotubes

990. Low tem perature solvother mal synth esis of TiO ۲nanocry stallite: Effect of precursor concentration on photoca talytic activity

991. E valuation of a Coupling Strategy to Obtain Biofunctional-Magneti c Nanoparticle for Bi odetection

992. XRD evaluation of nickel-phos phorus n anoparticles lattice tensions in vari ous thermal annealing conditions

993. Imp regnation of Porcel ain Pots with Silver Nanopar ticles via Pervapora tion and Study of the Effects on Pathogens (E scherichi a coli, Sta phylococc us aureus) in the Contacted Brot h

994. Synt hesis and Photoluminesc ence Properties of Silica Capped Z nO Quantum Dots

995. Fabricatio n of TiO۲ Nanofiber s via Electrospinni ng as Hig h Potential Ph otocatalyst

996. T he effect of differe nt concent rations of nano-alumina and operatin g p arameters on Ni-Al۲O۳ nano-composite coatings

997. Ana lysis of th e effect of chirality on stress intensity factor of e poxy/SWC NT based on multi-sca le method

998. Use of nanostructure phragmites australies for nitrate r emoval

999. Na noparticles assembly of y-Al۲ O۳ nanorods using y -AlOOH as precursor

1000. The rule of basic pH in characterization of AlOOH nanoparticles an dna nostructu res

1001. Study of Deposition Time and Concentr ation Eff ects on Properties of Nanocrystalline ZnS Thin Film s

1002. Comparing Photocatalytic activity of In- V Photochemical co-doped TiO۲ sol-ge l and Hydrothermal Nanopar ticles

1003. Ch emical syn thesis an d characte rization o f poly(۳- methylthio phene)/S iO۲ nanocom posites by inverted emulsion t echnique

1004. Preparation and characteriz ation of po ly(۳- methylthiophene)/SiO۲ na nocomposites: Chemical oxi dative met hod in bi nary organic solvents

1005. Enhanced photocatalytic and anti bacterial p erforman ce of nanosized Ag/ ZnO

1006. Degradation of ۴-Nitrophenol (۴-NP) Us ing Novel Composites as Zn O Nanoparticles Supporte d on Zeol ites

1007. Synthesis of V ertically Aligned C arbon Nanotubes U sing FC- CVD Method

1008. Study of relationship quantitativ eenthalpy absorption: n anotube-anionicsurfactant system as a case model

1009. Highly sele ctive extra ction and preconcentration of ultra-trace level o f mer cury ion i n water an d fish sa mples using Fe۳O۴-m agnetite-nanoparticles functionalized by t riazene compound prior to it s determi nation byinduc tively cou pled plas ma-optical emission spectrom etry

1010. A no vel extra ction and preconcen tration o f ultra-trace level of uranium ion usi ng functionalized magnetic-nanoparticles prior to its deter mination by induc tively cou pled plasma-optical emission spectrom etry

1011. Sy nthesis and characterization of mesopo rousPVP containing palladiu m nanoparticles using KIT-۶ as tem plateand it’sapplicationforc ross coupling reactions

1012. Polyme r/KIT-۶ nanocompo site: synthesis, characterization and controlleddrug r elease

1013. High Solar Photocatalytic Degrad ation of A zo Dye ( MB) by Bismuth Fe rrite Synthesized v ia Ultraso und Met hod

1014. Kine tic and th ermodynamic study of Cr (III) Adsorption by Nano Organic-Ino rganic Adsorbent based on ۴ H-pyarn-۴-one (E۳) and TEO S by Sol-Gel Method.

1015. Sy nthesis a nd usage Nano Org anic- Inorganic Ads orbent ba sed on ۴H - pyarn-۴-o ne (E۲) an d TEOS by Sol-Gel Method for Removal Ni(II)

1016. Synthesis and antibacterial evaluation of n ano-bioactive-glass es (NBG) by a quick alkali-m ediated s ol–gel met hod

1017. U sing of y-alumina porous nanoparticle s for loading and r eleasing of Mefenamic acid

1018. Synthesis an d charac terization of y-alum ina porou s nanopa rticles from Sodium alu minat liquor with two type surfactants

1019. Effect o f different acids to functionalization c arbon nan otubes

1020. Gold nanopart icle prod uction optimization by a met al-toleran t bacterium as an effe ctive clean technol ogical approach

1021. Th e electric field dep endence of hydrogen adsorption on silicon carbi de nanotube

1022. PANHs ad sorptiono nto CMK- ۱/SDS-Fe carbon m odified nanoporous sorbentby SPE-UVtechniquefrom aqueous media

1023. A Compa rative Stu dy for Re moval of Alizarin Red S from Aqueous Sam ples by M agnetic N anoparti cles of Fe۳O۴, CoFe۲O۴ and Fe ۳O۴ by Us ing Ionic Liquid as M odifier

1024. Study the possibility of CuO an d ZnO n anoparticles for the removal of h eavy metals from waste water s

1025. Heavy met als removal from aqueous so lutions using TiO۲, and Mg O nanoparticles

1026. Comparison of remov al of bro mothymol blue from aqueous solution by r awMWCNT and Zn(OH)۲ n anopartic le loaded on activated carbon Zn (OH)۲-NP -AC: kinetic, isoth erm and thermodyn amic inv estigation of rem oval process

1027. Sy nthesis of ۲-substitu ted benzimidazoles and ۲-aryl-۱H-ben zimidazo les using [Zn( bpdo)۲.۲ H۲O]۲+/M CM-۴۱ na nocatalyst under solvent-free c onditions

1028. Antimicrob ial Finishing of Wo olen Fabr ic by TiO۲/Ag Nan ocomposite

1029. S tudy on t he effect of nano-copper oxide particle s on mou se forelimb dev elopment under in v ivo condi tion

1030. Preparation and characterization of polypyrrole/sil ver nanocomposites by in terfacial chemical polymerization tech nique using silver ion oxidant

1031. Calculation of conducta nce in bilayer graphenenanoribbons under rotation

1032. Syn thesis of magnetic nanoparticles Fe۳O۴-immobilized guanidine and its appli cation as nanocatal yst in cya nosilylation of aldeh ydes

1033. Hydrogen Storage on Boron and Nitrogen doped SilconCarbi deNanotubes: A first principle study

1034. Preparatio n of flowerlike copp er nanoparticles by chemical reduction

1035. Study the effec ts of diffe rent meth ods for s upporting Fe on So dium Y zeolite on CNTs ch aracterist ics produc ed by CC VD meth od

1036. The studies of Equilibrium Adsorption of ۴-Nitroanilin fro m Aqueou s Solution Onto Mul ti-Walled Carbon nanotubes

1037. Nano-bentonite a s chemica l flocculantin papermaking process

1038. Effect of su bstrate te mperature on Ag/C :H films prepared by PECVD devices

1039. M agnetic N anopartic le Fe۳O۴ I mmobilized N-Pro pyl-Sulfa mic Acid a s Gr een and reusable N anocataly st

1040. Synthesis and collation of NiO nanopa rticles by base and acid and nonstruc tural inve stigation via XRD, FTIR an d SEM tec hniques

1041. Fa brication and Synthesizes of LSCO Na no composite via sol-gel method

1042. Nano structural LSCO as a good d ielectric

1043. Ma gnetic Nan oparticles Catalyze d N-Tert -Butoxyca rbonylation of Ami nes and A mine Deri vatives

1044. Prod uction and investiga tion of fo ur phase semiconductor layer(Al/AgNO ۳/glass) b y PVD me thod

1045. Fabricatio n and Ele ctrochemical Study of Silver and Copper Nanowires in A cidic and alkaline Environment

1046. A new meth od for sy nthesis and charact erization of Pt nano colloid an d investigation of nonlinear optical properties of this sample

1047. Synthesis and Functionalization o f porous nanosilica (SBA-۱۵) for remo val of bichromate from aqueous solut ions

1048. Quantum analysis of drain source curr ent of Gate-All-Around CdSe Na nowire F ield-Effec t Transistor

1049. A model rep resentati on for the temperature depen dence of t he gate-all-around Si-NW -FET threshold voltage

1050. Electrocatalyti c oxidatio n of formaldehyde at the surface of bi metallic C u/Pt p articles m odified carbon nan otube paste electrod e

1051. Nano-Ggenosensor fo r Point M otation De tection in Base of E LISA using nano- magnetic beads

1052. Morphological investigation of NBR/ PVC blen ds reinforced with function alized sing le- walled carbon n anotube

1053. Si multaneou s Determination of herbicides in Water Using M ulti-Walled Carbon N anotubes and chem ometrics Methods

1054. Synthesis, Modification and Application of Carbon N anofiber s for Removal o f Lead from Aqueo us Solution

1055. Acetonevap or sensing characte ristics of Ni-Zinc ferrite (Ni۰.۶ Zn۰.۴Fe۲O ۴) Nanoparticles prep ared by microwave method

1056. Eff ect of nanoclay par ticles on t he water a bsorption of polyprop ylene/Ca nola straw flour co mposites

1057. Effe ct of nan oclay particles on th e hardne ss strengt h of polyprop ylene/Ca nola straw flour co mposites

1058. Synthe sis and Op timization Perform ance of M odified G lucose Biosens orwith Colloidal Go ld Nanoparticles

1059. Prep aration and prope rties of bi odegradab le starch – ZnO nanocompo sites

1060. Preparation and Prope rties of S tarch Bas ed-Natrolite Nanobiocomposi tes

1061. Effect of Kaol inite’s cla ys on mec hanical properties and diele ctric const ant of medium v oltage ins ulating nanocompos ites based on polyvinyl chloride (PVC)

1062. Decay resistance of Nano Zinc Oxide treated Cotton wood

1063. The Effect of Som e Prameters on Photacatalyt ic Activity of TiO۲/M Nano Com posite

1064. [Cu(bpdo)۲.۲ H۲O]۲+–supported SBA-۱۵ n anocataly st catalyze d synthesis of benzoxa nthenone and ۲-am ino-chro mene deri vatives efficiently

1065. Pr eparation of polystyrene-Zn Onanoco mposite via solution mixingan d investigation its antibacterial prop erty

1066. Lantha num oxide as a diele ctric for t he future of CMIS devices

1067. Sol-Gel Synthesis and Investigation of (L a, Sr) CoO ۳ (LSCO ) Thin Fil ms

1068. Nanotube as a n Anti-H IV Deliverer?

1069. In vestigatio n of Inter action between Nanotubes and Anti-Ca ncer Drugs

1070. A study on sy nthesis of magnetic iron oxid e core / Z nS shell n anopartic les

1071. Inv estigation Thermodynamic Function o f Complex es between Nanotubes and Anti- HIV Dru gs: A The oretical Approach

1072. CuO n anostruc ture-catalyzed oxidation of alcohol to ketone

1073. Encapsulation Process in Synthesizing Polyurea Micro/nan ocapsules Containing Linseed Oil and it s Application in Self-Healing Coatings

1074. Surface Area Enhance ment of M gO/Mg(O H)۲by Hy drotherm al process in the presence of Chiral Ionic Liquid

1075. A tomistic S imulation of Meth ane adsor ption and diffusion in a model nanoporous carbon

1076. E ffect of A l-substituted on particle size and magn etic properties of Ni۰.۶Co۰.۴Fe۲- xAlxO۴ (۰ x ۰.۳) ferrite nan oparticles

1077. Application of Modifie d Sulfur Nanoparticles as a New Sorbent for Solid Phase Extraction a nd Determ ination of Linuron

1078. Fun ctionalize d nano sil ica as an e fficient c atalyst for Synthesi s of chrom ene derivatives by m ulti-comp onent rea ctions

1079. Func tionalize Nanopo rous Silica Gel as a New Sensor for Determinatio n of Metal Ions

1080. Preparation and characterization of IR spectrum LiNbO۳ n anopowders

1081. Fabrication an d characterization of a Nano- structured organic light emi tting diodeusing synth esis dye

1082. Application of ruthe nium nan oparticle loaded on activated carbon for re moval of methyl or ange from aqueous solution: kinetics a nd isotherm study

1083. Introduction of new na no composite in base of nano gold particles and poly L-methionin e for sim ultaneous determination of uric acid a nd xanthi ne

1084. Aniline to Polyaniline/silver nanocomposites via em ulsion po lymerizati on in th e presence of p-phe nylenedia mine

1085. Py rrole to polypyrrole/Ag nano composites via emu lsion pol ymerization

1086. Molecular D ynamics, Monte C arlo and D FT Studies of B oron-Nitride nanocones: pro perties in vestigatin g of B۱۰N۱۱H۷(Thr) ۲ in Diffe rent Temperatures and Solvents

1087. Effe ct of electrodeposition frequ ency on magnetic p roperties of Co۰.۹۳S n۰.۰۷ nanowire arrays

1088. Opti cal and structural studying o f Molybdenum-dop ed Vanad ium oxid e by sol-gel method

1089. Ads orption of Crystal V iolet Dye onto Carrageenan-Based Nanocompo sites Adsorbent

1090. Synthesis an d Study o f Nanostr uctural Properties of ZrO۲-CrO۲ Com posite

1091. Sorp tion processes of h eavy metals by natural and m odified b entonite using nano particles

1092. On the th ermal conductivity in methan e-propane binary mixture in nanochannels: A n on-equilibrium molecular dy namics approach

1093. Studying t he dispersion stability of surface treat ed nano silica particles in a U V-curable matrix

1094. Co mparison of efficien t removal of methyl orange a nd sunse t yellow with Gold nanoparticle loade d on Activated Car bon: Kin etic and Is otherm st udy of removal pro cess

1095. R emoval of sunset yellow fro m aqueou s solution on activa ted carbo n prepared from wo od of tam arik tree: kinetics and isother m study

1096. Zinc hydroxide nanopa rticles lo aded on a ctivated c arbon as a dsorbent for re moval of s unset yell ow: kinetics and isotherm study

1097. Cha racterizat ion of Zinc oxide na noparticle loaded o n activate d carbon and their efficient applicati on for re moval of muroxide from aqu eous solution

1098. In situ synthesiz e of Cu۲O on cotton fabric

1099. Th eoretical S tudy Rat e Constants and Photonic Radiation Wavelength of Electron Trans fer Endo hedral Me tallofulle renes C۸۰ _ C۸۸

1100. Molecular dynamics si mulations of adsorp tion and separatio n of Meth ane an d Carbon dioxide g ases on single walle d Carbon and Silicon Carbi de nanotubes

1101. P reparatio n and cha racteristics of poly imide/tita nia nano composite

1102. The first chemical synthesis Pol ythiophene/Ag Nanocomposi te by AgNO۳

1103. Syn thesis Polythiophe ne/Ag Nan ocomposites by use of Ag presynthesiz ed

1104. Investigation of optical properties dep endence to deposition angle

1105. Investiga tion of op tical properties dependence to deposition angle

1106. Synt hesizing and Characterizing of Silver/C opper (II ) oxide N ano composite on Nylon fabric

1107. C olored an d Functio nal Nylo n/Silver Nano composite: Synthesis and Characterizat ion

1108. Effe ct of some operatio nal parameters on d iscoloration of Aci d Blue ۱۱۳ via nano TiO۲ stabilized on concrete be d in photocatalytic process

1109. Synthesi s of Nanostructure MCM-۴۱ UsingStems of Phragmites A ustraliyA sh as Sili ca Source s

1110. Eff ect of treatment pro cess parameters on the surface characteristic of a hydrop hilic nano -silica

1111. Si mulation insights i nto the th ermal conductivity of carbon nanotube s bundles and carbon na nocomposites: A re verse non- equilibri um molec ular dyn amics stu dy

1112. Acidic Nanomagnet as a Green Catal yst for the Synthesi s ۱,۲,۴,۵-Tetrasubstituted I midazole

1113. Synthesis and application of mesoporo uspoly (N -vinyl-۲- p yrrolidon e) co ntaining palladium nanopart icles.

1114. Remov al of Cu( II) from aqueous solution by adsorption onto Polyacrylamid e/KIT-۶ NanoComp osite

1115. P roductio n and inve stigation about nan ostructur es of PbS thin films

1116. Magnetic properties of zigzag an d ladder Ti nanochains under pressure: Anab-initio study

1117. Effect of Polyaniline Nanoparticles on Thermal Be havior of Epoxy Ba sed Thermosets

1118. Synthesis of well define d polymer nanocom posite by polymeri cally mod ified silica

1119. Decolonization of indigo carmin e using sy nthesized nanocom posites zerov alent iron

1120. Evaluation of Rheologi cal Prope rties of Or ganoclay as Water -base Drilling Fluid in Iran

1121. Ab - initio i nvestigat ion of Tramadol adsorption o n the sing le - walled carb on nanotube

1122. Study of morphology an d optical properties of PVD F films aft er additio n of Au nanoprtic les

1123. Applying Ho mogeneo us Precipitation for Synthesis and Phys icochemi cal Ch aracterization of Cu O/CeO۲/ Al۲O۳ and CuO/ZrO ۲/Al۲O۳ N anopowders

1124. Ultraso und Assis ted Urea-Nitrates Combusti on Synthesis and Physicochemical Ch aracterization of C uO/ZnO/Al۲O۳ Na nopowder

1125. Ex perimenta l investigation on electrical conductivity of Fe۳O ۴ nanoflu ids

1126. Ca F۲ Nanop articles: S ynthesis and Char acterizati on

1127. Technical and Economical Eva luation Use of Nano Oil in Agricultur al Tractor Engines Co mpared w ith Conventional O il

1128. Sono-synthesis of Nanocomposite (TiO۲- Cu۲O) and Their Ap plication in Degrad ation of S urfactants from Aqueous Sol ution by Sunlight

1129. Synthesis and Ch aracterization of Tu ngsten O xide Intercalation Nanohybrid s

1130. Selec tive Oxidation Cat alysts Based on Car bon Nano tubes with Coavale ntly Attached to Molybde num Oxides

1131. Th e effect of multi wall carbon n ano tube s on NMR I mouse a nterior li mb bud develop ment in in vivo systems

1132. Effect of Catalyst on Grows of Diomond-like Carbon by HFCVD

1133. Calculati on of optic al properties of mu lti layers semiconductors by Kramers-Kronig method

1134. Synthesis of Magn etite Anio n-exchange Nanoparticles an d Their Application for Sep aration an d Preonc entration of Methyl Phospho nicAcid

1135. Str uctural Evolution of Nanocrystalline T i-Ni-Cu S hape Me mory Alloys Synthesized by Mechan ical Alloy ing

1136. Evol ution ofPhase Tran sformatio n in Nan ocrystallin e/Amorp hous Ti-۴ ۱Ni-۹Cu Shape M emory Alloys Synt hesized by Ball Milling

1137. Investigation of optical and s tructural propertie s of Mn d oped ZnO nanoparticl es, synthesized at ۰o C

1138. Morphology Predictio n of Tern ary Blend s and Their Nanocomposites via Thermod ynamic A pproach

1139. Developm ent of a N ew ChitosanNanofiber Mats Containing Silver Sulfadiazin e for Burn Dressing

1140. Pre paration o f Chitosa n Based N anofibers as a Potential Bur n Dressing by Electrospinning

1141. Synthesis, ch aracterization and photocat alytic activity of Mg /ZnO-Sn O۲ na noparticles

1142. Finite temperature Casimir interaction etween a perfectly conductin g surface and a permea ble surfa ce

1143. Na nosilica C ontaining Polypro pylene/Liq uid Cryst alline Polymer Blend

1144. C atalytic p erforman ce and ch aracteriz ation of Fe-V/TiO۲-SiO۲ nano catalysts promoted with Zn

1145. Elect rochemical Synthesis and Electrochem ical Char acteristic of Graphene-Supported P t Nanoparticles for Methano l Oxidati on

1146. Ultrasonic irradiati on and m agnetic polymeric s orbent for complete removal of p-nitr ophenol

1147. S tudy Effec tive Parameters onto Swellin g of Hydr ogel Nan ocomposite

1148. St udy Effect ive Para meteres on to Swelling of Hydrogel Nan ocomposi te And Diagra ms

1149. Sy nthesis of nanoparticles silica sulfuric acid (NPs SiO۲-OSO ۳H): a so lid phase acidic cat alyst for s ynthesis of biscoumarin deriv atives

1150. Pr eparation and elect rochemica l capacitive behaviors of nan ostructured molybdenum oxide

1151. One Pot Syn thesis of ۲-Amino-۲ -Chromene Derivatives with Zinc Oxide Nanoparticles as a Reus able Cata lyst

1152. S ynthesis of siliceous MCM-۴۸ and NiO /SiO۲ mesoporous m aterial via Ultrasound a ssisted sol-gel meth od

1153. Synthesis of silica nanocomposite MSN-polyMAA for oral d rug delivery

1154. The effect of nanoclayparticles o nthemech anical pro perties ofalmond s hell po wder- pol ypropylen e composite

1155. Rem oval amoxicillin fr om aqueous solutio ns by nanomagnetic s LaSrM No۳

1156. Studies on Enzyma tic Bioma chining of Copper b y Glucos e Oxidase

1157. The effect of n anoparti cles and e nzyme immobilization on the performa nce of biosensor Sulfite, b ased on glassy carbon electrode

1158. The effect of operating param eters on t he photoc atalytic removal of a ntibiotic G entamici n at aqueo us solutio n using UV-C irrad iated TiO ۲ na noparticles

1159. Synthesi s of NiO nanoparticles by precipitation method a nd their application as an effective adsorbent in the removal of Cr(VI) from aqueous solutions

1160. Thermal Resistance M agnetic N ano Composites B ased on Silicon- Resin Epoxy

1161. Removal and Separatio n of Calcon Dye from Wastew ater by Magnetic S olid P hase Extr action with Iron Ox ide Nano particles Modified with CTAB

1162. S ynthesis of nano-zeo lite: modification o f carbon paste elec trode using nano-z eolite and its appli cation for determination of d opamine

1163. Recovery and Synt hesis of N ano-Silver Particles from Medical W astes

1164. Enh anced activity and selectivity of Au/Zn O catalysts contain ing low CuO conte nt for pre ferential o xidation of CO in H۲ rich streams

1165. Effect of nano fluid on n atural convection fluid flow and heat t ransfer in an enclosure containin g a heated circular cylinder

1166. Poly(۳-methylthiophene)/TiO۲ Nanocomposites via Inverted Emulsion

1167. Su rface Plasmon Resonance of Silver Nan oparticles for dete rmination of ascorbic acid in food and Phar maceutical Samples

1168. Prep aration and Magne tic Properties of N anostruct ured Mn۰. ۵Zn۰.۵Fe۲O ۴ in Silica Matr ix

1169. So nochemically Synt hesis of NiMo/Al۲O۳ -ZrO۲ Nanocatalyst with Hig h ZrO ۲-Conten t for Hydr odesulphurization of Thiophene

1170. Nano-Pero vskites of LaFe(۱.۰, ۱.۲, ۱.۵ or ۱.۷)O(۳+į) as Catalyst of C O and U HC

1171. Effect of Ti O۲, Fe۳O۴ and Al۲O۳ nanoparticales on phosphor us removal from aqueous so lution

1172. Cesium sorption stu dies on mesoporous MCM-۴۱ impregn ated with potassium zinc hexac yanoferrate

1173. Sup porting of potassiu m lead hex acyanofe rrate on m esoporous MCM-۴۱ as strontium adsorben t: isotherm, kinetic and ther modynamic studies

1174. Synthesis of zirconia n anoparti cles in presence of citric acid or starch as emulsifier

1175. Synthesis of lanthanum oxide nanopartic les in presence of c itric acid or starch as emul sifier

1176. On the chemi cal synth esis and drug delivery response of nap roxen-loa ded PAA/PEG interpolymer com plex-coa ted magne tite nano particles

1177. Physical and mechanic al properties of pol yurethane/polyhedral oligomeric silsesquioxane ( PU/POSS) nanocom posite

1178. Synthesis of N anozeolite NaA Using Barle y Husk Silica: Mercury Remo val f rom Babolrood River and In dustrial W astewate r

1179. Cold Wall C hemical V apour D eposition Reactor Design for Synthesis of Carb on Nanotubes: Parametric Study

1180. Study of Physicoc hemical Behavior o f Anneale d TiO۲ Na notubes

1181. TiO۲/Fe: Ag nano composite: Synthesis and phot o catalytic activity

1182. Simultaneous Synthesiz e of Nano -Silver an d Polyester Hydrol ysis in Alkali Media along with Nano TiO۲ Application

1183. T hermal Stable and Self-Clean ing Hollow Fiber PET Nonwoven Usin g Nanoclay/Nano Ti O۲/Poly Siloxane Composites

1184. Applying Non-Therma l Plasma to Synthesis of Nanostructured Ni/Al۲ O۳-M gO Cataly st for Syn gas Prod uction from CH۴/C O۲

1185. Ultrasound Assisted S ynthesis and Char acterizati on of Nan ostructure d MnNiSA PO-۳۴ Catalyst Used in MTO Process

1186. Catalytic Perf ormance o f Ni-Co/A l۲O۳-Mg O-ZrO۲ N anocataly st toward CO۲ Reforming of CH۴: Effect of ZrO۲ Precursor

1187. Plasma Assisted Synthe sis of Nan ostructur ed Pt/Al۲ O۳-CeO۲ Catalyst U sed for Waste Gas Stream Treatment

1188. Ionic liquid- assisted formation o f Co۳O۴ nanopartic les

1189. Prepar ation and optical properties o f Porphy rin nanoparticles

1190. Pre paration of MWC NT-Al۲O۳ hybrid for the production of nanoemulsion with the applicati on in enha nced oil recovery

1191. Molecula r Dynami cs Simula tion of the Melting Process in Na۲۲ K۳۳ Nanoalloy

1192. Molecular Dynamic s Simulation of the Melting Process in Au۱۵Ag۴۰ Nanoalloy

1193. Optimization of bovine serum al bumin fibrillation: use of res ponse surf ace metho dology an d simple C ongored testing

1194. Dye Adsorption isotherm modeling onto Functional ized Nanoporous Silica

1195. Quantum scattering theory o f diatomic molecules with na nolayers

1196. Three-pa rticle qua ntum scattering vi a separab le potenti als: Applic ation to statistical mechanic s

1197. Determination and comp arison of formatio n constants of bis(۴- amino-۳-penten-۲-onato) c opper(II) and nickel(II)

1198. Anion-ʌ Interaction inC۶H ۳X…M- (X = H, F, CN, CH۳,and NH۲;M=Au, A g, and Cu) Complex es

1199. Ionization of Benzene, Toluene and Xylene via Charge or Proto n Transfer Re action

1200. Reduced Density Gradien t along Bond Paths in Differ ent Chemical Bond s

1201. Electronic Structure of Proto nated PA Hs: Acenaphthylene and Acenaphthene

1202. Theoretical consider of proper ties of oligo (۳-met hyl thioph enes) terminated with for myl

1203. ONIOM Ca lculation on the Int eraction between T TA Derivatives and Linear–De ndritic Co polymers

1204. DFT Study stabilities and EPR of the Cop per(II)hydrogenm alonate dehydr ate complex

1205. DF T Study o f Hydrogen-bondin g affects on ۱۷O and ۲H Electric Field Gradient Tensors of of the bis- -amino acid (S, S)-۱ molecule

1206. Protonation of Caff eine; Theoretical and Experimental Study

1207. C halcogen -Chalcogen Interaction; an Electron Density An alysis

1208. Calcu lation of Rovibronic Transition Intens ities for D iatomic Molecules

1209. Quantum m echanical study on the mechanism an d kinetics of the hydrolysis of Organ opalladiu m Complex [Pd(C NN)P(OMe)۳]+

1210. Theoretical Approaches Of Structure and Conformation Of a., B and y Cyclodextrin

1211. DFT study on the mechanism for formation of olefin complexes in the re action between pall adium(II) and maleic acid

1212. Experimental an d Theoretical Study of Valen ce Photoe lectron Spectrum o f Proline Amino Ac id

1213. Intramole cular Hy drogen Bo nding in ۵-Nitrosalicylaldeh yde: Infrared Spectrum and Qu antum Chemical C alculatio ns

1214. Meta -stable excited stat es of Cl۲۲ -

1215. Spectroscopi c constants and molecular properties of Obr- and OCl-

1216. Prediction of gas chromat ography retention of alcohols based on quantum chemica l parameters

1217. Interaction of Potassium ion with A mino Acids(alanine) as Buil ding block of Proteins: A DFTand HF study

1218. Inter action of Potassium ion with Amino Ac idsand the net char ge on the carbonyl of the fr ee bases: A DFT stu dy

1219. Infl uence of structural features o n ion mo bility spectra of Sub stituted Benzaldehyde is omers at atmospheric pressu re and different te mperature

1220. Three-pa rticle qua ntum scattering vi a separab le potenti als: Applic ation to statistical mechanics

1221. The effect of phenyl subst itutions on the structure and metal- li gand bond stre ngth of c opper acetylacetona te. A DFT study.

1222. DFT study on the mecha nism of t he Forma tion of Mo nodentate Acetate C omplex of Palladium(II)

1223. Considering the one-elect ron density of hydr ogen ion molecule within the context of the Ho oke – Cal ogero model

1224. Interaction b etween stretching a nd bendi ng modes in Napht hazarin hydro gen bond

1225. Hydrophilic gel compo sition eff ect on the molecula r association and spectros copic beh avior of M ethylen blue

1226. Proton Transfer in X-Anil ide–HF: Can the S ubstituent s in Para Position o f Anilde ion Influ ence the N - ...H–F N–H ...F- Switchin g

1227. Theor etical investigation of phenyl group effect as an end-substitution o n electronic propert ies of oligothiophenes

1228. A DF T study on structu ral proper ties of phenyl-capped oligoth iophenes

1229. Absor ption Spec trum of S O۲ Molecule: Including S۱–S۲ Vibroni c Coupling

1230. Conformational analysis of Cystein e side chain for HC O-L-Cys- L-Ala-NH۲ protected dipe ptide. A DFT study

1231. Conformational analysi s of Cysteine side ch ain for HCO-D-Cys-D-Ala-NH۲ pr otected dipeptide. A DFT study

1232. Potential ene rgy curve s of the ۳ Σ+ and ۱Δ states of the HCl ۲+ dication

1233. Deter mination o f the pote ntial ener gy curves of diatom ic bound electroni c states usi ng the energy- consistent method

1234. Self-association of thiazine dyes i n aqueous and aqueous urea solutions

1235. Ana lysis of vi ronic str ucture in electronic spectra of large polyatomic molecules

1236. Excite d state electric dipole moment of thiazine dyes: A compar ative stud y

1237. Altere d Lumines cence Efficiency of Cadmium Sulphide Quantu m Particle s via co-dopi ng NixZny ions

1238. Quantum mech anical stu dy on the mechanism of nucl eophilic su bstitutio n reaction o f Į-Chlorododecyl Carboxylate with t rimethylamin

1239. Nucleus-independent ch emical shift (NICS ) profiles in aromaticity and reactivity patterns of Ferroce ne complexes

1240. Molecular structure and Specteroscopic a nalysis (F T-IR, UV-VIS, ۱H NMR) of Ciproflox acin via Quantum liquid DFT calculat ion

1241. DFT pr ediction on pKa of L-dopa in an aqueo us solution

1242. Laser Mass Spectrometry of Alkali-Earth Halides

1243. Calculation of D ecay Rate Constan ts of ۲۱Ag ۱۱ Ag Internal Conversion in trans, trans-۱, ۳, ۵,۷-Oct atetraene

1244. Dyn amic NM R of Ranit idine: An Empirica l and Co mputational Study

1245. Influence of C u+۲:Mn+۲ c o-doping ZnS Nan oparticles on Light Emission Efficiency

1246. Spectrophotometery stud ies on the interaction of new complex, tribromo phenantridin e aurum (III), with calf thymus DNA

1247. Vibr ational Assignment and Density Functional The ory Calcu lations of N-salicyl ideneaniline

1248. Simulation of photoelect ron spectrum of CH ۳CH۲OO-

1249. R ed-shiftin g and Blu e-shifting Halogen Bonds; a QTAIM Study

1250. S chrödinger Equation under a q-Deformed Mors e plus Coulomb Inte raction

1251. The Exponential Potential within a Semi-relativistic Tw o-Body formulation via N ikiforov- Uvarov T echnique

1252. Spe ctral stud ies on the binding of cationic Zn(II)tet rapyridin oporphyr azine to ca lf thymus DNA an d oligonuc leotide

1253. Study of multi-nucleon syste ms in the hyper central approach

1254. Study of two-body systems in the Yukawa potential

1255. DFT Investig ation of t automerism in ۶-fl ourothymine: Com parison betw een gas p hase and solution

1256. DFT I nvestigati on of transition state of tauto merism i n ۶-flourothymine in chlorof orm solvent

1257. Photoelectron spectra of Oxyacids of Nitrogen in Gas phase an d Solution

1258. A no vel view of the interaction b etween PL GA-PEG-PLGA with HSA sy nchronou s fluoresc ence spectroscopy m ethod

1259. Quantum mechanical study on th e mechanism of coordination of indole derivatives to Palladium (II) Ions in Complexes

1260. Novel furandica rboxylate derivativ es as exce llent fluorescence standards: spectroscopical and electroc hemical study

1261. Vib rational a ssignment and structure of V anadyl a cetylacetonate: A density function al theore tical study

1262. M olecular structure and intramolecular hydroge n bonding of ۴-phenylamino -۳-penten -۲-one an d its para substituti ons. A DFT study

1263. Struct ural and S pectroscopic (NMR , IR, and UV) analysis of Le mofloxacin via D FT quantu m chemi cal studies

1264. Tautome rization in imide co mpounds; DFT and NBO studies

1265. St ructure, tautomerism and intramolecu lar hydro gen bonding of ȕ-ketosulfo xide compounds

1266. Determination of Dunha m constan ts and potential en ergy curv es for InH from co mbined an alysis of UV/visible and infr ared spect ra

1267. The study of mixed micellization of Hyamine and Trit on X-۱۰۰ in water-buthanol mixtur es

1268. Equ ilibrium biosorptio n isother m for neutral red o n persimm on leaf

1269. Stu dy of surf ace molar area of co mponent in organic binary mixtures

1270. Applying a new correc tion in Jouyban-Ac ree model to predi ction of organic binary mixtures su rface tensi on

1271. Study of therm odynamic dye removal from solutions by using b iosorbent

1272. Kinet ic survey and therm odynami c modeling of reduc tion COD sewer by adsorbents: in methanol unit of Fanavaran petrochemical company

1273. The rmodyna mic of the Co (II) ad sorption onto silica aerogel-a ctivated car bon nano composites from aqueous solutions

1274. Thermody namic and kinetic study of adsorption Direct red ۸۱ on sonc hus arvensis

1275. Prep aration of Poly Pho sphoric A cid Impregnated on Silica Gel (PPA-SiO۲) and study of its activity for t he Synthe sis of ۱,۲,۴ ,۵-Tetrasubstituted Imidazoles

1276. Ane xperimental study o n the surf ace prope rties of a queous so lutions of cyclic a mino acid s

1277. Calculation of surface tension, s urface entropy, surfaceenthalpy, and surfac e excess co ncentration of org nic binary mixtures

1278. Application of the UNIFAC mo del for Es timation o f Relative Gibbs Ad sorption and thickness of the surface la yer in the binary m ixtures

1279. Self – Assembly in System of Leciyhin and Nonionic Am phiphile f rom NMR Studies

1280. Phase Behavior and Phase Strutu re for Catanionic S urfactant Mixture: Dodecyltrimet hlammonium Chloride-Sodium Nonan oate-Wate r System

1281. The Kinetics &Termod ymic Study on adsorption of ascorbic acid using SiO۲ and PPy/S iO۲ nanoc omposite

1282. Rel ationships between surface tension and bulk properties of organic liquids

1283. Surface ten sion prediction for binary solutions

1284. Adsorp tion of Ba sic Violet ۱۶ from Aqueous Solutions by Waste Sugar Be et Pulp: Kinetic and T hermodynamic Studies

1285. Surface Tensi on Predict ion for P ure Compounds by Using of Different Methods

1286. The use of Scale d Particle Theory and Develo ped Scaled Particle Theory in Predicting the Surface T ension of Pure Co mpounds

1287. A Study Upon The Role of A B-Reducer Co ntained S olution In A Direct Elec trodeposition of Ultrasoft and High Magnetic Moment NiFe films

1288. Determ ined the Lyophobicity for Binary Mixture with Extended Langmuir Model

1289. Surface Tension Prediction for Liq uid Organic Solvents

1290. Adsorption of Sulfur Compou nds from Liquid Fuel by Carbon Na noparticles Dispers ed in Aqu eous Phase: Kinetic and equilibriumS tudies

1291. FT-IR study on the int erfacial interaction of novel N eutral Polymeric Bon ding Agent contain ing NCO group wi th RDX

1292. Investigating Synergis m in Critical Micelle Concen tration (CMC) of cationic-nonioni c surfactantmixtures

1293. Prediction and Correlation of Surfa ce Tensio n Data for Binary System at Vario s Tempe ratures: D MSO - L ong Chain alcohols

1294. Fixing of nickel nanopar ticle on a rtificial ve rmicolite substrate in acidic media and study their catalytic pr operties in vegetable oil hydrogenation

1295. Application of Shereshefsky Model to Binary Mixtures:Surfac e Analysis for Calculating Su rface Ten sion and Surface Parameters

1296. Simultaneous I nfluence of SDS Sur factant a nd Uni-Un ivalent S alts on the Inter facial Tension of To luene-Wa ter: A New Insight

1297. Inh ibition by cetyltrim ethyl am monium bromide of the corro sion of stainless steel in NaCl solution

1298. Removal of Red S-DS W (a disperse dye) from Aqueous Solution by a ctivated carbon: A study of equilibrium adsorption isoth erms

1299. Synthe sis of Mo/ZSM-۵/H MS bipor ous catal ysts with t he high st ability fo r dehy droarom atization and cataly tic conver sion of methane to benzene

1300. Invest igation of isotherms for Ads orption of Methyle n Blue dy e (MB) by nano layer of electroactive polymer

1301. Surface tensio n measurement of Pure Ioni c Liquid, ۱- hexyl-۳- methyl imidazolium Bromide [HMIM][Br] in different temperature

1302. Ads orption of phenol o n bentonit e: A stud y of equilibrium adsorption isotherms

1303. An experimental study on surfa ce propert ies of amino acid so lutions

1304. Na no silica phosphoric acid as an efficien t eco-frie ndly catalyst for synthesis of ar yl ۱۴H-dib enzo[a,j] xanthene s in therm al and solvent-free con ditions

1305. Half -metallic Ferromag netism in the Zinc-blende MS(M=Li, Na & K) u nder Pressure and Stress

1306. An inv estigation on interfa cial interaction of AP and T ris-(۲-hydroxyethyl)-isocyan uratevia F T-IR and FT-Ram an

1307. FT-Raman and FT-IR study on interfacial interac tion of T ris-(۲-hydroxyethyl)-is ocyanuratewith AND

1308. Adsorp tion of Eo sin Y usi ng polyaniline-beach sand nanocompos ite: kinet ic and thermo dynamic s tudies

1309. Predict ion of surface properties of b inary ref rigerant m ixtures w ith density (volume) based mo del

1310. Boron d opeddiam ond like carbon na nocrystalby HFCVD

1311. The s ynergism between nanostruc tured Cd S and Cd O in photo catalytic degradation of methyle ne blue

1312. Ultraso und-treate d TiO۲ for removal of anionic surfacta nt

1313. Kinetics and thermodyna mic stud y of aniline adsorpt ion by SBA-۱۵ with non -ionic sub strate (P۱ ۲۳) from aqueous s olution

1314. Water proofing material fo r inhibition of am monium n itrate hygroscopicity by micro encapsulation