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
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.
引用
收藏
页码:163 / 164
页数:2
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