ON VIBRATIONAL FORCE-FIELD CALCULATIONS

被引：5
|
作者：
MURPHY, WF
机构：
来源：
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE | 1991年 / 69卷 / 11期
关键词：
VIBRATIONAL FORCE FIELD CALCULATIONS; NORMAL COORDINATE CALCULATIONS; HARMONIC FORCE FIELDS;
D O I：
10.1139/v91-245
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
A series of computer routines for performing normal coordinate calculations of harmonic vibrational frequencies is described. These are designed for operation on current-generation computers having direct-access storage. Example results are given for the chain isomer of disulfur difluoride.
引用
收藏
页码：1672 / 1678
页数：7
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