DETERMINATION OF A POTENTIAL OF THE PH3 GROUP - TEST ON THE PH3-BH3 MOLECULE AND THE METAL-COMPLEXES (PH3)3CU-BH4

被引：0

作者：

ABOUELMAKARIM, H ^{[1
]}

GHAILANE, R ^{[1
]}

KOMIHA, N ^{[1
]}

机构：

[1] FAC SCI RABAT, DEPT CHIM, CHIM THEOR LAB, RABAT, MOROCCO

来源：

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | 1993年 / 107卷 / 03期

关键词：

D O I：

暂无

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：

An effective group potential is proposed to simulate the PH3 group. Only the two active electrons are explicitly taken into account; the rest of the molecule is replaced by a potential of the form C e(-alphapi2). The potential parameters have been determined and tested on the PH3-BH3 molecule and on the metallic complex (PH3)3Cu-BH4.

引用

页码：261 / 271

页数：11

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