| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1236067 | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy | 2012 | 8 Pages |
Abstract
⺠In this study we have examined the Density functional theory computational methods and compared with the vibrational spectra for interpreting and predicting the various molecular properties of l-valinium succinate. ⺠The hydrogen bonding and the possible interactions were also calculated by using NBO analysis. ⺠The HOMO-LUMO energy gap is calculated to show the charge transfer interaction involving donor and acceptor groups.
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Physical Sciences and Engineering
Chemistry
Analytical Chemistry
Authors
C. Jesintha John, T.S. Xavier, G. Lukose, I. Hubert Joe,