Title of article :
Solvent Effect Study on the Stability Energies of Glycine, Alanine and Valine Amino Acides
Author/Authors :
Keshavarz Rezaei, F Chemistry Department - Arak Branch - Islamic Azad University, Arak , Taherpour, A Chemistry Department - Arak Branch - Islamic Azad University, Arak , Aghaie, M Department of Chemistry - North Tehran Branch - Islamic Azad University,Tehran
Abstract :
Glycine, Alanine and Valine are taken as amino acids with an equal polar head and with the
difference in the length of hydrocarbon chains. The structural optimizations show the results of the
isolated Glycine, Alanine and Valine in the gases phase, at the Hartree-Fock level by means of
STO-3G,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 HT/6-31+G and then the dielectric effects of the surrounding
were analyzed. The solvent effect on the stability of Glycine, Alanine and valine molecules was
discussed.
Keywords :
Glycine , Alanine , Valine , Solvent effects , PCM model , HF-calculations , Molecular modeling
Journal title :
Astroparticle Physics
