ELECTRIC-DIPOLE MOMENT DERIVATIVES FOR METHANE COMPUTED BY A DENSITY FUNCTIONAL METHOD

被引：13

作者：

CHONG, DP

PAPOUSEK, D

机构：

[1] Institute of Atomic and Molecular Sciences, Academia Sinica, Taipei, 10764

来源：

CHEMICAL PHYSICS LETTERS | 1992年 / 193卷 / 05期

关键词：

D O I：

10.1016/0009-2614(92)85649-U

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The first derivatives of the electric dipole moments along the symmetry coordinates were computed for CH4 by means of the deMon density functional program and compared with the experimental values.

引用

页码：399 / 401

页数：3

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