Ab initio calculations of d orbital participation in some sulphur compounds

被引：59

作者：

Hillier, I. H. ^{[1
]}

Saunders, V. R. ^{[1
]}

机构：

[1] Univ Manchester, Dept Chem, Manchester M13 9PL, Lancs, England

来源：

CHEMICAL PHYSICS LETTERS | 1969年 / 4卷 / 04期

关键词：

D O I：

10.1016/0009-2614(69)80086-2

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：

Ab initio calculations, including sulphur 3d orbitals, of the dipole moments and ionisation potentials of H2S, CS and SO2 reveal the importance of d orbitals in these molecules. © 1969.

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页码：163 / 164

页数：2

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