Solvent Effect Study on the Stability Energies of Valine, Isoleucine and Leucine Amino Acides

Valine, Isoleucine and Leucine are taken as essential amino acids with an equal polar head and with the difference in the length of hydrocarbon branch chains.The structural optimizations show the results of the isolated Valine, Isoleucine and Leucine in the gases phase, at the Hartree-Fock level by means of 3-21G, 6-31G and 6-31+G basis sets. The calculations were performed for the ten (1-10) solvents using PCM model method at HF/6-31+G and then the dielectric effects of the surrounding were analyzed.The solvent effect on the stability of Valine, Isoleucine and Leucine molecules were discussed

کلیدواژه ها:

Valine ، Isoleucine ، Leucine ، Solvent effects ، PCM model ، HF-calculations ، Molecular modeling