作者
P‐O Åstrand, G Karlström, A Engdahl, B Nelander
发表日期
1995/3/1
期刊
The Journal of chemical physics
卷号
102
期号
9
页码范围
3534-3554
出版商
American Institute of Physics
简介
An approach for including the intermolecular part of the zero‐point vibrational energy in the calculations of intermolecular interactions is presented. The approach is applied to the water complexes of water, ammonia, dimethyl ether, formaldehyde, formamide, acetone and formic acid adopting a model potential. Effects on structure, interaction energy and intermolecular vibration frequencies are discussed. The model is successful in predicting the experimental far infrared spectra, and provides further insights in the assignment of these spectra.
引用总数
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