ELECTRONIC-STRUCTURES OF D(0) COMPLEXES BY THE DV-X-ALPHA METHOD

被引：2

作者：

MUKOYAMA, T ^{[1
]}

ADACHI, H ^{[1
]}

机构：

[1] KYOTO UNIV,FAC ENGN,DEPT MET,KYOTO 606,JAPAN

来源：

CHEMICAL PHYSICS LETTERS | 1993年 / 215卷 / 1-3期

关键词：

D O I：

10.1016/0009-2614(93)89268-M

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 electronic structures of TcO4-, RuO4, ReO4- and OsO4 have been studied using the discrete-variational Xalpha molecular orbital method. The calculated ordering and the ionization potentials of the valence orbitals are compared with the experimental results.

引用

页码：93 / 96

页数：4

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