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

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LEITE, JR
FAZZIO, A
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[32] STABILITY OF THE MOLECULAR ANIONS CLO4-, HCO- AND O3- FROM THE SELF-INTERACTION CORRECTED MULTIPLE-SCATTERING X-ALPHA METHOD
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[33] POINT-DEFECTS IN ORDERED METALLIC COMPOUNDS .1. ELECTRONIC-STRUCTURE CALCULATION BY THE LINEAR-MUFFIN-TIN-ORBITAL METHOD
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STEFANOU, N
KOCH, JM
PHYSICAL REVIEW B, 1986, 33 (08) : 5307 - 5318
[34] SEMI-EMPIRICAL MOLECULAR-ORBITAL STUDIES ON THE ELECTRONIC-STRUCTURE OF MOLECULES IN EXCITED-STATES - THE INDO/2-VN-1 POTENTIAL MODEL .1.
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[35] CLUSTER LOCAL DELOCALIZATION MOLECULAR-ORBITAL MODEL AND ITS APPLICATION .1. THE ELECTRONIC-SPECTRA AND STRUCTURE OF HEXACOORDINATED DI-MU-OXO-DIMOLYBDENUM (V) COMPLEXES
YANG, RS
YU, XF
ACTA CHIMICA SINICA, 1985, 43 (07) : 620 - 625
[36] APPLICATION OF MOLECULAR-MODELS TO ELECTRONIC-STRUCTURE CALCULATIONS OF DEFECTS IN OXIDE CRYSTALS .1. PARAMETRIZATION OF THE MODIFIED INDO METHOD
SHLUGER, A
THEORETICA CHIMICA ACTA, 1985, 66 (06): : 355 - 363
[37] APPLICATION OF X-ALPHA-SCATTERED-WAVE METHOD TO THE ANALYSIS OF ELECTRONIC-STRUCTURE OF CATALYSTS FOR HYDROGENATION PROCESSES AND SELECTIVE HYDROGENATION OF UNSATURATED-COMPOUNDS .2. MODELING OF ELECTRONIC-STRUCTURE OF PALLADIZED ALUMINA CATALYST
GAGARIN, SG
GUBSKII, AL
KOVTUN, AP
KRICHKO, AA
SACHENKO, VP
KINETICS AND CATALYSIS, 1983, 24 (04) : 692 - 699
[38] DV-X-ALPHA MOLECULAR-ORBITAL METHOD FOR X-RAY-ABSORPTION NEAR-EDGE STRUCTURE - APPLICATION TO N2 AND CRO42-
NAKAMATSU, H
MUKOYAMA, T
ADACHI, H
JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS SHORT NOTES & REVIEW PAPERS, 1993, 32 : 23 - 25
[39] PHOTOELECTRON-SPECTRA AND ELECTRONIC-STRUCTURE OF ORGANO-PHOSPHORUS COMPOUNDS .1. AN ORBITAL MODEL OF THE CONFORMATIONAL ISOMERISM OF X2P-YCH3
ERMOLAEVA, LV
EVEREV, VV
JOURNAL OF STRUCTURAL CHEMISTRY, 1983, 24 (05) : 683 - 689
[40] THE MOLECULAR AND ELECTRONIC-STRUCTURE OF HOMOAROMATIC COMPOUNDS - CIS,CIS,CIS-CYCLONONA-1,4,7-TRIENE AND 1,4,7-TRIOXONIN - A STUDY BY PHOTOELECTRON-SPECTROSCOPY AND ABINITIO MOLECULAR-ORBITAL METHODS
PALMER, MH
NISBET, JD
JOURNAL OF MOLECULAR STRUCTURE, 1980, 67 (OCT) : 65 - 80

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