The lowest singlet and triplet potential surfaces of H2O

被引：29

作者：

Bader, R. F. W. ^{[1
]}

Gangi, R. A. ^{[1
]}

机构：

[1] McMaster Univ, Dept Chem, Hamilton, ON, Canada

来源：

CHEMICAL PHYSICS LETTERS | 1970年 / 6卷 / 04期

关键词：

D O I：

10.1016/0009-2614(70)85083-7

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：

Relevant features of the potential surfaces of the lowest singlet ant! triplet states of H2O are determined within the unrestricted Hartree-Fock approximation with the purpose of providing a theoretical basis for the discussion of the chemistry of O(D-1) and O(P-3) atoms in insertion and abstraction reactions.

引用

页码：312 / 316

页数：5

共 19 条

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