APPLICATION OF MULTIPLE-SCATTERING X-ALPHA MOLECULAR-ORBITAL METHOD TO DETERMINATION OF ELECTRONIC-STRUCTURE OF METALLOCENE COMPOUNDS .1. DIBENZENECHROMIUM AND ITS CATION

被引：101

作者：

WEBER, J ^{[1
]}

GEOFFROY, M ^{[1
]}

GOURSOT, A ^{[1
]}

PENIGAULT, E ^{[1
]}

机构：

[1] ECOLE SUPER CHIM MULHOUSE,PHOTOCHIM GEN LAB,EQUIPE RECH 336,F-68093 MULHOUSE,FRANCE

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1978年 / 100卷 / 13期

关键词：

D O I：

10.1021/ja00481a003

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：3995 / 4003

页数：9

共 49 条

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[4] THEORETICAL-STUDY OF ELECTRONIC-STRUCTURE OF FERROCENE AND FERRICINIUM - APPLICATION TO MOSSBAUER ISOMER-SHIFTS, IONIZATION-POTENTIALS, AND CONFORMATION
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[6] CALCULATED ELECTRONIC-STRUCTURE OF URANIUM HEXAFLUORIDE
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[7] EXTENDED HUCKEL CALCULATIONS INCLUDING S,P,D ORBITALS - STUDY OF FERROCENE MOLECULE AND ITS MONO AND DICHLORO DERIVATIVES
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[J]. THEORETICA CHIMICA ACTA, 1975, 37 (01): : 37 - 46
[8] IONIZATION POTENTIALS OF FERROCENE AND KOOPMANS THEOREM - AB-INITIO LCAO-MO-SCF CALCULATION
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[J]. THEORETICA CHIMICA ACTA, 1972, 27 (04): : 281 - &
[9] DAHL JP, 1961, VIDENSK SELSK MAT FY, V33, P5
[10] CALCULATION OF TOTAL ENERGY IN MULTIPLE SCATTERING-X ALPHA METHOD .1. GENERAL THEORY
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (08) : 3063 - 3070

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