POTENTIAL-ENERGY SURFACES OF CH3+ AND CH3-

被引：59

作者：

KARI, RE

CSIZMADIA, IG

机构：

[1] Lash Miller Chemical Laboratories, Department of Chemistry, University of Toronto, Toronto 5, Ont.

来源：

JOURNAL OF CHEMICAL PHYSICS | 1969年 / 50卷 / 03期

关键词：

D O I：

10.1063/1.1671209

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：

The possibility of decribing accurate Hartree-Fock energy surfaces for CH3+ and CH3- is discussed. The effect of the inclusion of a d-Gaussian-type function (GTF) on the potential-energy surface is studied using basis sets composed of 52 and 58 GTF.

引用

页码：1443 / +

页数：1

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