The electronic structure and stability of CH5+ and CH5-

被引：60

作者：

Mulder, J. J. C. ^{[1
]}

Wright, J. S.

机构：

[1] Leiden Univ, Dept Theoret Organ Chem, NL-2300 RA Leiden, Netherlands

[2] Fac Sci, Chim Theor Lab, Orsay, France

[3] Fac Sci, Ctr Europeen Calcul Atom & Mol, Orsay, France

来源：

CHEMICAL PHYSICS LETTERS | 1970年 / 5卷 / 08期

关键词：

D O I：

10.1016/0009-2614(70)85103-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：

Geometry-optimized minimum basis set STO calculations are given for the CH5- and CH5- ions, together with double zeta-STO results at the computed minima, which give the lowest energies vet reported for the ions. An interpretation in terms of electron pairs is given for the relative stabilities of the various structures.

引用

页码：445 / 449

页数：5

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