NNO-HCL COMPLEX - ABINITIO CALCULATIONS WITH THE COUPLED CLUSTER METHOD AND 1ST-ORDER CORRELATION ORBITALS

被引：6

作者：

ADAMOWICZ, L

机构：

[1] Department of Chemistry, University of Arizona, Tucson

来源：

CHEMICAL PHYSICS LETTERS | 1991年 / 176卷 / 02期

关键词：

D O I：

10.1016/0009-2614(91)90162-3

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 coupled cluster method and the first-order correlation orbital technique is applied to determine which N2O-HCI configuration out of three planar equilibrium structures found in the MBPT (2) geometry optimizations is the most stable. The result agrees with the recent experimental determination of Kukolich and co-workers.

引用

页码：249 / 254

页数：6

共 25 条

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