Vibrational spectral simulation of amino acids in gaseous and solution forms

Vibrational spectra of neutral and solution forms of aliphatic amino acids via density functional theory (DFT) have been simulated. The results reveal the success of this method in calculation of vibrational modes and investigations confirmed the high compatibility between the theoretical obtained and experimental recorded spectral results. In amino acids, the region below 2000 cm -1 is active to…