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

[1] APPLICATION OF THE MULTIPLE-SCATTERING X ALPHA-MOLECULAR ORBITAL METHOD TO THE DETERMINATION OF THE ELECTRONIC-STRUCTURE OF METALLOCENE COMPOUNDS .2. NICKELOCENE AND ITS CATION
GOURSOT, A
PENIGAULT, E
WEBER, J
NOUVEAU JOURNAL DE CHIMIE-NEW JOURNAL OF CHEMISTRY, 1979, 3 (11): : 675 - 681
[2] ELECTRONIC-STRUCTURE AND RELATED PROPERTIES OF METALLOCENES - MULTIPLE-SCATTERING X-ALPHA MOLECULAR-ORBITAL STUDY
WEBER, J
GOURSOT, A
PENIGAULT, E
JOURNAL OF MOLECULAR STRUCTURE, 1980, 60 (JAN) : 397 - 400
[3] ELECTRONIC-STRUCTURE OF METALLOCENE COMPOUNDS .3. COMPARISON OF THE RESULTS OF MULTIPLE-SCATTERING X-ALPHA CALCULATIONS WITH VARIOUS ELECTRONIC OBSERVABLES OF COBALTOCENE
WEBER, J
GOURSOT, A
PENIGAULT, E
AMMETER, JH
BACHMANN, J
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1982, 104 (06) : 1491 - 1506
[4] ELECTRONIC-STRUCTURE OF HELIUM-TRAPPED VACANCY IN ALUMINUM USING MULTIPLE-SCATTERING X-ALPHA METHOD
IYAKUTTI, K
SANKAR, S
THIAGARAJAN, M
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1989, 35 (05) : 679 - 685
[5] CALCULATION OF MOLECULAR ESCA SPECTRA BY MULTIPLE-SCATTERING X-ALPHA METHOD
CONNOLLY, JW
SIEGBAHN, H
GELIUS, U
NORDLING, C
JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (10): : 4265 - 4277
[6] MOLECULAR-ORBITAL THEORY OF ELECTRONIC-STRUCTURE OF ORGANIC-COMPOUNDS .1. DIOXODIAZACYCLOALKANES
MARANON, J
SORARRAIN, OM
GRINBERG, H
LAMDAN, S
GAOZZA, CH
ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES, 1976, 31 (12): : 1677 - 1680
[7] X-ALPHA METHOD OF MULTIPLE-SCATTERING THEORY AND ITS APPLICATION FOR METAL CLUSTER PROPERTIES ANALYSIS
SACHENKO, VP
GEGUZIN, II
KOLESNIKOV, VV
KOVTUN, AP
POLOZHENTSEV, YV
FIZIKA METALLOV I METALLOVEDENIE, 1977, 44 (06): : 1127 - 1137
[8] SELF-INTERACTION CORRECTED MULTIPLE-SCATTERING X-ALPHA METHOD - APPLICATION TO MOLECULES
GUO, YF
WHITEHEAD, MA
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1991, 74 : 285 - 304
[9] ELECTRONIC-STRUCTURE OF LINBO3 - DENSITIES OF STATES, OPTICAL ANISOTROPY AND SPONTANEOUS POLARIZATION CALCULATED FROM THE X-ALPHA MOLECULAR-ORBITAL METHOD
HAFID, L
MICHELCALENDINI, FM
JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1986, 19 (16): : 2907 - 2917
[10] MULTIPLE-SCATTERING X-ALPHA CALCULATIONS OF THE ELECTRONIC-STRUCTURE OF CO(CN)5OH3- AND RELATED PHOTOCHEMICAL PROPERTIES
GOURSOT, A
PENIGAULT, E
CHEMICAL PHYSICS, 1981, 61 (1-2) : 83 - 93

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