A Generalized Model of Angular Overlap. Basic Principles

被引：0

作者：

Rakitin, Yu. V. ^{[1
]}

Khodasevich, S. G. ^{[1
]}

Kalinnikov, V. T. ^{[1
]}

机构：

[1] Russian Acad Sci, Kolskii Res Ctr, Inst Rare Element & Mineral Chem & Technol, Apatity 184200, Murmansk Oblast, Russia

来源：

RUSSIAN JOURNAL OF COORDINATION CHEMISTRY | 1997年 / 23卷 / 01期

基金：

俄罗斯基础研究基金会;

关键词：

D O I：

暂无

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The general approach in constructing effective Hamiltonians for the antibonding orbitals of complexes is developed at the MO LCAO level using the approximation of weak covalency and the variational perturbation theory with a parameterization adopted in the model of additive angular overlap. The versatility of this approach is demonstrated by the examples of the systems that include the monoatomic and polyatomic nonlinear coordinated and chelating pi-conjugated ligands.

引用

页码：1 / 10

页数：10

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