FIT OF THE POTENTIAL-ENERGY SURFACE FOR THE REACTION NE+H(2)+-]NEH++H USING 3 DIFFERENT FUNCTIONAL FORMS

被引：48

作者：

PENDERGAST, P ^{[1
]}

HECK, JM ^{[1
]}

HAYES, EF ^{[1
]}

JAQUET, R ^{[1
]}

机构：

[1] UNIV SIEGEN,W-5900 SIEGEN,GERMANY

来源：

JOURNAL OF CHEMICAL PHYSICS | 1993年 / 98卷 / 06期

关键词：

D O I：

10.1063/1.465015

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：

Three different functional forms are fit to a calculated coupled electron pair approach potential energy surface for the reaction Ne + H-2+ --> NeH+ + H. Minimum energy pathways and stationary points of the various fits are discussed.

引用

页码：4543 / 4547

页数：5

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