Abstract
Intermolecular hydrogen bonding in glycine-water complex was studied on vibrational spectrum using Moller-Plesset perturbation theory, empirical and quantum and mechanical mechanics potentials calculations. Anharmonicity and couplings between vibrational normal modes were calculated using vibrational self-consistent field method. Vibrational frequencies and infrared intensities were affected by hydrogen bonding interactions.
Original language | English |
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Pages (from-to) | 1340-1348 |
Number of pages | 9 |
Journal | Journal of Chemical Physics |
Volume | 115 |
Issue number | 3 |
DOIs | |
State | Published - 15 Jul 2001 |