ELECTRONIC-STRUCTURE OF TRANSITION-METAL CARBONYL-COMPLEXES - COMPARISON OF HARTREE-FOCK-SLATER CALCULATIONS WITH UV PHOTOELECTRON-SPECTRA AND IR AND RAMAN DATA

被引：162

作者：

BAERENDS, EJ ^{[1
]}

ROS, P ^{[1
]}

机构：

[1] VRIJE UNIV AMSTERDAM,SCHEIKUNDIG LAB,DE BOELELAAN 1083,AMSTERDAM,NETHERLANDS

来源：

MOLECULAR PHYSICS | 1975年 / 30卷 / 06期

关键词：

D O I：

10.1080/00268977500103261

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：

引用

页码：1735 / 1747

页数：13

共 42 条

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[7] SELF-CONSISTENT MOLECULAR HARTREE-FOCK-SLATER CALCULATIONS .3. INFLUENCE OF NON-SPHERICAL CONTRIBUTIONS TO ELECTRON-DENSITY AND POTENTIALS
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[J]. CHEMICAL PHYSICS, 1975, 8 (03) : 412 - 418
[8] LOCALIZED AND DELOCALIZED 1S HOLE STATES OF O2+ MOLECULAR ION
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (01) : 224 - &
[9] BOWER LM, 1967, INORG CHIM ACTA, V1, P231
[10] ELECTRONIC STRUCTURE AND BONDING IN V(CO)6-,CR(CO)6, AND MN(CO)6+
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[J]. INORGANIC CHEMISTRY, 1968, 7 (07) : 1273 - &

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