The dissociation of NH3 and H2O in excited states

被引：40

作者：

Horsley, J. A. ^{[1
]}

Flouquet, F. ^{[1
]}

机构：

[1] Fac Sci, Photophys Mol Lab, Grp Rech CNRS, F-91 Orsay, France

来源：

CHEMICAL PHYSICS LETTERS | 1970年 / 5卷 / 03期

关键词：

D O I：

10.1016/0009-2614(70)80032-X

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：

For some lower-lying excited states of NH3 and H2O, ab initio SCF calculations indicate the presence of potential maxima in the paths leading to dissociation into NH2 + H and OH + H. The occurrence of these maxima is probably connected with changes in the highest occupied molecular orbital during dissociation.

引用

页码：165 / 167

页数：3

共 10 条

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