Farideh Keshavarz Rezaei - Chemistry Department, Faculty of Science, Islamic Azad University, Arak Branch, P.O.Box:۳۸۱۳۵-۵۶۷, Arak

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

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