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 46 条

[41] ELECTRONIC-STRUCTURE AND CHEMICAL BONDING IN METALLIC CLUSTERS OF BINARY AND TERNARY TRANSITION-METAL CHALCOGENIDES .1. SCF MS X-ALPHA STUDY INCLUDING RELATIVISTIC EFFECT OF PBMO6S8
LEBEUZE, L
MAKHYOUN, MA
LISSILLOUR, R
CHERMETTE, H
JOURNAL OF CHEMICAL PHYSICS, 1982, 76 (12): : 6060 - 6066
[42] APPLICATION OF PHOTOELECTRON-SPECTROSCOPY TO MOLECULAR-PROPERTIES .16. ELECTRONIC-STRUCTURE AND REACTIVITY OF 1,1'-DIPHOSPHAFERROCENE - PHOTOELECTRON, EHT AND MS X-ALPHA-STUDIES
GUIMON, C
GONBEAU, D
PFISTERGUILLOUZO, G
DELAUZON, G
MATHEY, F
CHEMICAL PHYSICS LETTERS, 1984, 104 (06) : 560 - 567
[43] STUDY OF THE ELECTRONIC-STRUCTURE OF MOLECULES BY A SELF-CONSISTENT DISCRETE VARIATION X-ALPHA-METHOD IN A BASIS OF NUMERICAL HARTREE-FOCK FUNCTIONS .1. GENERAL DESCRIPTION OF THE PROCEDURE
GUTSEV, GL
LEVIN, AA
JOURNAL OF STRUCTURAL CHEMISTRY, 1978, 19 (06) : 838 - 842
[44] BIMETAL ATOM CHEMISTRY .1. SYNTHESIS, ELECTRONIC ABSORPTION-SPECTRUM, AND EXTENDED HUCKEL-SELF-CONSISTENT FIELD-X-ALPHA-SCATTERED WAVE MOLECULAR-ORBITAL ANALYSES OF CRMO MOLECULE - RELEVANCE TO ALLOY AND BIMETALLIC CLUSTER CATALYSIS
KLOTZBUCHER, W
OZIN, GA
NORMAN, JG
KOLARI, HJ
INORGANIC CHEMISTRY, 1977, 16 (11) : 2871 - 2877
[45] ELECTRONIC-STRUCTURE OF THE TRANSITION-METAL NITRATES TI(NO3)4, VO(NO3)3, CO(NO3)3, AND CU(NO3)2 - STUDIED BY LOW-ENERGY PHOTOELECTRON-SPECTROSCOPY AND ABINITIO MOLECULAR-ORBITAL AND SCATTERED WAVE-X-ALPHA CALCULATIONS
GARNER, CD
HAWKSWORTH, RW
HILLIER, IH
MACDOWELL, AA
GUEST, MF
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (13) : 4325 - 4333
[46] MOLECULAR-ORBITAL (SCF-X-ALPHA-SW) THEORY OF METAL-METAL CHARGE-TRANSFER PROCESSES IN MINERALS .1. APPLICATION TO FE-2+ GREATER-THAN FE-3+ CHARGE-TRANSFER AND ELECTRON DELOCALIZATION IN MIXED-VALENCE IRON-OXIDES AND SILICATES
SHERMAN, DM
PHYSICS AND CHEMISTRY OF MINERALS, 1987, 14 (04) : 355 - 363

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