Perimetric scale-shape coordinates for triatomic molecules

被引:9
作者
Atchity, GJ
Ruedenberg, K
机构
[1] IOWA STATE UNIV,AMES LAB,US DOE,AMES,IA 50011
[2] IOWA STATE UNIV,DEPT CHEM,AMES,IA 50011
关键词
internal coordinates; triatomic molecules;
D O I
10.1007/s002140050222
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
Perimetric nuclear coordinates of a triatomic molecule treat all three nuclei equivalently and are not subject to the triangle conditions. Through an appropriate orthogonal transformation they can be separated into one scale coordinate, viz., the circumference, and two shape coordinates, which are determined by the angles. The parameter space of the shape coordinates is an equilateral triangle. The basic formulas are given and the relationship between points in coordinate space and molecular shapes are elucidated.
引用
收藏
页码:205 / 211
页数:7
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