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

[21] NEW METHOD FOR THE DESCRIPTION OF LIGAND-FIELD STATES BASED ON MULTIPLE-SCATTERING X-ALPHA RESULTS - APPLICATION TO CRCL4
WEBER, J
DAUL, C
MOLECULAR PHYSICS, 1980, 39 (04) : 1001 - 1011
[22] MULTIPLE-SCATTERING X-ALPHA CALCULATIONS OF THE ELECTRONIC-STRUCTURE OF CO(NH3)63+ - RELATED PHOTO-CHEMICAL PROPERTIES AND COMPARISON WITH CO(CN)63-
GOURSOT, A
PENIGAULT, E
CHEMICAL PHYSICS, 1979, 38 (01) : 11 - 19
[23] APPLICATION OF X-ALPHA SCATTERED-WAVE METHOD IN ANALYSIS OF ELECTRONIC-STRUCTURE OF CATALYSTS OF HYDROGENATION PROCESSES AND SELECTIVE HYDROGENATION OF UNSATURATED-COMPOUNDS .2. ELECTRONIC-STRUCTURE OF PTO, PDO, PTS, AND PDS
GAGARIN, SG
GUBSKII, AL
KOVTUN, AP
KRICHKO, AA
SACHENKO, VP
KINETICS AND CATALYSIS, 1982, 23 (03) : 491 - 496
[24] GROUND-STATE ELECTRONIC-STRUCTURE AND THE NATURE OF EXCITED-STATES OF OXOTETRAHALO COMPLEXES OF CHROMIUM(V) AND MOLYBDENUM(V) - A SELF-CONSISTENT FIELD MULTIPLE-SCATTERING X-ALPHA STUDY
WEBER, J
GARNER, CD
INORGANIC CHEMISTRY, 1980, 19 (08) : 2206 - 2209
[25] ELECTRONIC-STRUCTURE, HYPERFINE INTERACTIONS, AND RADIAL DENSITIES IN THE FE-1+ TETRAHEDRAL SULFIDE AS CALCULATED BY THE MULTIPLE-SCATTERING METHOD
LIE, SK
BRAGA, M
TAFT, CA
PHYSICAL REVIEW B, 1988, 38 (07): : 4382 - 4387
[26] SEMIEMPIRICAL MOLECULAR-ORBITAL STUDIES OF PHTHALOCYANINES .1. ELECTRONIC-STRUCTURE AND EXCITED-STATES OF PHTHALOCYANINE, H2PC
HENRIKSSON, A
SUNDBOM, M
THEORETICA CHIMICA ACTA, 1972, 27 (03): : 213 - +
[27] APPLICATION OF THE X-ALPHA-SCATTERED WAVES METHOD TO THE ANALYSIS OF THE ELECTRONIC-STRUCTURE OF CATALYSTS FOR HYDROGENATION PROCESSES AND THE SELECTIVE HYDROGENATION OF UNSATURATED-COMPOUNDS .1. STATEMENT OF THE PROBLEM - CALCULATION OF THE ELECTRONIC-STRUCTURE OF PALLADIUM SULFIDE
GAGARIN, SG
KOVTUN, AP
KRICHKO, AA
SACHENKO, VP
KINETICS AND CATALYSIS, 1979, 20 (05) : 935 - 941
[28] MOLECULAR-ORBITAL THEORY OF ELECTRONIC-STRUCTURE OF ORGANIC COMPOUNDS .17. INTERNAL-ROTATION IN 1,2-DISUBSTITUTED ETHANES
RADOM, L
LATHAN, WA
HEHRE, WJ
POPLE, JA
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (03) : 693 - 698
[29] ELECTRONIC-STRUCTURE OF METAL-CLUSTERS .1. PHOTO-ELECTRON SPECTRA AND MOLECULAR-ORBITAL CALCULATIONS ON (ALKYLIDYNE)TRICOBALT NONACARBONYL CLUSTERS
CHESKY, PT
HALL, MB
INORGANIC CHEMISTRY, 1981, 20 (12) : 4419 - 4425
[30] AB-INITIO MOLECULAR-ORBITAL CALCULATIONS OF TRANSITION-METAL COMPLEXES .1. ELECTRONIC-STRUCTURE OF NICKEL TETRACARBONYL AND CHROMIUM HEXACARBONYL
HILLIER, IH
SAUNDERS, VR
MOLECULAR PHYSICS, 1971, 22 (06) : 1025 - &

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