The OH vibrational spectrum of liquid water from combined ab initio and Monte Carlo calculations

被引：0
|
作者：
Hermansson, Kersti [1 ]
Knuts, Sören [2 ]
Lindgren, Jan [1 ]
机构：
[1] Department of Chemistry, Uppsala University, Box 531, Uppsala,S-75121, Sweden
[2] Department of Quantum Chemistry, Uppsala University, Box 518, Uppsala,S-75121, Sweden
来源：
Journal of Chemical Physics | 1991年 / 95卷 / 10期
关键词：
Average frequency - Density of state - Dipole moment derivative - Experimental frequencies - Geometrical configurations - Monte Carlo calculation - OH-stretching spectra - Potential curves;
D O I：
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学科分类号：
摘要：
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页码：7486 / 7496
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