DFT study of the aromatic stabilization energy ASE of indole

the indole nucleus is a common substructure of many biologically active compounds occupies an important position in medicinally relevant heterocyclic systems the aromatic stabilization energy of indole was investigated in this study the ASE of indole in the gas phase was calculated with ab initio method base on DFT at B3LYP/STO-3G,3-21Gd and 6-311+G(d,p) basis.

کلیدواژه ها:

ASE ، INDOLE ، DFTcalculation ، B3LYP ، GAUSSIAN03