COMPARISON OF CORRELATION-EFFECTS ON THE INVERSION BARRIERS IN CF3 AND NF3+ FROM PERTURBATION-THEORY AND CONFIGURATION-INTERACTION

被引：20

作者：

CURTISS, LA ^{[1
]}

POPLE, JA ^{[1
]}

机构：

[1] CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA

来源：

CHEMICAL PHYSICS LETTERS | 1987年 / 141卷 / 03期

关键词：

D O I：

10.1016/0009-2614(87)85004-2

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：

引用

页码：175 / 178

页数：4

共 12 条

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[7] APPROXIMATE 4TH-ORDER PERTURBATION-THEORY OF ELECTRON CORRELATION ENERGY [J].

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POPLE, JA .

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[8] CONFIGURATION INTERACTION CALCULATIONS ON NITROGEN MOLECULE [J].

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[9] AN ABINITIO CALCULATION OF THE BARRIER TO INVERSION IN NF3+ [J].

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[10]

POPLE JA, 1977, INT J QUANTUM CHEM, P149

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