Electron localization function for transition-metal compounds

被引：219

作者：

Kohout, M ^{[1
]}

Wagner, FR ^{[1
]}

Grin, Y ^{[1
]}

机构：

[1] Max Planck Inst Chem Fester Stoffe, D-01187 Dresden, Germany

来源：

THEORETICAL CHEMISTRY ACCOUNTS | 2002年 / 108卷 / 03期

关键词：

electron localization function; bonding; d orbitals;

D O I：

10.1007/s00214-002-0370-x

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 analysis of the electron localization function of molecules and solids needs to involve the atomic core regions as well to reveal a more detailed insight into the bonding situation.

引用

页码：150 / 156

页数：7

共 39 条

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