ANALYTICAL POTENTIALS FOR TRIATOMIC-MOLECULES FROM SPECTROSCOPIC DATA .6. CHOOSING INTERNAL COORDINATES TO DESCRIBE TRIATOMIC POTENTIAL-ENERGY SURFACES WITH MORE THAN ONE MINIMUM

被引：18

作者：

MURRELL, JN ^{[1
]}

CARTER, S ^{[1
]}

MILLS, IM ^{[1
]}

机构：

[1] UNIV READING,DEPT CHEM,READING RG6 2AD,BERKSHIRE,ENGLAND

来源：

MOLECULAR PHYSICS | 1979年 / 37卷 / 06期

关键词：

D O I：

10.1080/00268977900101391

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：

Orthogonal internal coordinates are defined which have useful properties for constructing the potential energy functions of triatomic molecules with two or three minima on the surface. The coordinates are used to obtain ground state potentials of ClOO and HOF, both of which have three minima. © 1979 Taylor & Francis Group, LLC.

引用

页码：1885 / 1899

页数：15

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