Modeling the spectra of matrix-isolated molecules

被引：0
|
作者：
A. V. Nemukhin
B. L. Grigorenko
N. V. Ozhegova
机构：
[1] M. V. Lomonosov Moscow State University,
来源：
Journal of Structural Chemistry | 1997年 / 38卷
关键词：
Vibration Frequency; Quantum Chemical Method; Trapping Site; Molecular Dynamic Calculation; Argon Atom;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
Modeling the properties of molecules isolated in low-temperature inert matrices is discussed in terms of cluster approaches. The analysis uses molecular dynamic and quantum chemical methods. Particular attention is paid to spectral features resulting from the matrix environment effects.
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页码：207 / 211
页数：4
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