THEORETICAL-STUDY OF ELECTRONIC-STRUCTURE OF FERROCENE AND FERRICINIUM - APPLICATION TO MOSSBAUER ISOMER-SHIFTS, IONIZATION-POTENTIALS, AND CONFORMATION

被引：151

作者：

BAGUS, PS ^{[1
]}

WALGREN, UI ^{[1
]}

ALMLOF, J ^{[1
]}

机构：

[1] IBM CORP,RES LAB,SAN JOSE,CA 95193

来源：

JOURNAL OF CHEMICAL PHYSICS | 1976年 / 64卷 / 06期

关键词：

D O I：

10.1063/1.432540

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：2324 / 2334

页数：11

共 69 条

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[9] CRYSTAL STRUCTURE FERRICINIUM TRIIODIDE (C5H5)2FEI3 [J].

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[10] ON MOLECULAR STRUCTURE OF FERROCENE FE(C5H5)2 [J].

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