Energy component analysis of rotational barriers

被引：161

作者：

Allen, L. C. ^{[1
]}

机构：

[1] Princeton Univ, Dept Chem, Princeton, NJ 08540 USA

来源：

CHEMICAL PHYSICS LETTERS | 1968年 / 2卷 / 08期

关键词：

D O I：

10.1016/0009-2614(63)80026-3

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 energy components, V-att V-ne and V-rep T + V-nn + V-ee are employed in the analysis of the barrier mechanism. Molecules treated are: CH3CH3, CH3NH2, CH3OH, CH3CH2F, CH3CHO. CH3CHCH2, H3BNH3, NH2NH2, NH2OH, HOOH. HONO, and HOCHO.

引用

页码：597 / 601

页数：5

共 10 条

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[10] VEILLARD L, 1967, THEOR CHIM ACTA, V8, P312

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