ELECTRONIC-STRUCTURE OF TRANSITION-METAL CARBONYL-COMPLEXES - COMPARISON OF HARTREE-FOCK-SLATER CALCULATIONS WITH UV PHOTOELECTRON-SPECTRA AND IR AND RAMAN DATA

被引：162

作者：

BAERENDS, EJ ^{[1
]}

ROS, P ^{[1
]}

机构：

[1] VRIJE UNIV AMSTERDAM,SCHEIKUNDIG LAB,DE BOELELAAN 1083,AMSTERDAM,NETHERLANDS

来源：

MOLECULAR PHYSICS | 1975年 / 30卷 / 06期

关键词：

D O I：

10.1080/00268977500103261

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

引用

页码：1735 / 1747

页数：13

共 42 条

[11] ATOMIC SCREENING CONSTANTS FROM SCF FUNCTIONS
CLEMENTI, E
RAIMONDI, DL
[J]. JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (11) : 2686 - &
[12] AB INITIO COMPUTATIONS IN ATOMS AND MOLECULES
CLEMENTI, E
[J]. IBM JOURNAL OF RESEARCH AND DEVELOPMENT, 1965, 9 (01) : 2 - &
[13] SIMPLE BASIS SET FOR MOLECULAR WAVE-FUNCTIONS CONTAINING 3RD-ROW ATOMS
CLEMENTI, E
MATCHA, R
VEILLARD, A
[J]. JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (05) : 1865 - &
[14] TOTAL ENERGY IN MULTIPLE-SCATTERING FORMALISM - APPLICATION TO WATER MOLECULE
CONNOLLY, JW
SABIN, JR
[J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (11) : 5529 - &
[15] CALCULATION OF MOLECULAR ESCA SPECTRA BY MULTIPLE-SCATTERING X-ALPHA METHOD
CONNOLLY, JW
SIEGBAHN, H
GELIUS, U
NORDLING, C
[J]. JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (10) : 4265 - 4277
[16] VIBRATIONAL SPECTRA AND BONDING IN METAL CARBONYLS .1. INFRARED SPECTRA OF PHOSPHINE-SUBSTITUTED GROUP VI CARBONYLS IN CO STRETCHING REGION
COTTON, FA
KRAIHANZEL, CS
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1962, 84 (23) : 4432 - +
[17] ELECTRONIC-STRUCTURE OF NICKEL TETRACYANONICKELATE NI(CN)2-/4 AND NICKEL CARBONYL NI(CO)4 - AB-INITIO LCAO-MO-SCF CALCULATION
DEMUYNCK, J
VEILLARD, A
[J]. THEORETICA CHIMICA ACTA, 1973, 28 (03): : 241 - 265
[18] MOLECULAR CHARGE-DISTRIBUTION OF CO
DEWITH, G
FEIL, D
[J]. CHEMICAL PHYSICS LETTERS, 1975, 30 (02) : 279 - 283
[19] LASER RAMAN AND INFRARED SPECTRA OF TETRAHEDRAL CO(CO)4-ION
EDGELL, WF
LYFORD, J
[J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (09) : 4329 - &
[20] EVANS S, 1969, DISCUSS FARADAY SOC, P112

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