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Talebian E, Malekfar R. Vibrational spectral simulation of amino acids in gaseous and solution forms. ICOP & ICPET _ INPC _ ICOFS 2015; 21 :505-508
URL: http://opsi.ir/article-1-655-en.html
URL: http://opsi.ir/article-1-655-en.html
1- Atomic and Molecular Physics Group, Division of Physics, Faculty of Basic Science, Tarbiat Modares University (TMU)
Abstract: (3376 Views)
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 IR and related to alkyl side chains and the region above 3000 cm-1 is active to Raman and related to functional groups.
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