ABINITIO CI CALCULATIONS ON THE IONIZED STATES OF [CO2(ETA-5-C5H5)2(CO)2] AND [CO2(ETA-5-C5H5)2(NO)2]

被引：13

作者：

QUELCH, GE

HILLIER, IH

机构：

来源：

CHEMICAL PHYSICS LETTERS | 1988年 / 144卷 / 02期

关键词：

D O I：

10.1016/0009-2614(88)87108-2

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

收藏

页码：153 / 157

页数：5

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[1] CRYSTAL AND MOLECULAR-STRUCTURE OF BIS(PENTAMETHYLCYCLOPENTADIENYL)DICARBONYLDICOBALT
BAILEY, WI
COLLINS, DM
COTTON, FA
BALDWIN, JC
KASKA, WC
[J]. JOURNAL OF ORGANOMETALLIC CHEMISTRY, 1979, 165 (03) : 373 - 381
[2] A SHORT CI EXPANSION FOR A SYMMETRY-ADAPTED DESCRIPTION OF LOCALIZED HOLE STATES - APPLICATION TO THE 3DSIGMAU HOLE STATE OF THE CU-2+ ION
BENARD, M
[J]. THEORETICA CHIMICA ACTA, 1982, 61 (04): : 379 - 385
[3] BROKEN-SYMMETRY HARTREE-FOCK DESCRIPTION OF DEEP CORE AND OUTER VALENCE HOLE STATES - THE 3D-SIGMA-U AND 4D-SIGMA-U HOLE STATES OF AG-2+
BENARD, M
[J]. CHEMICAL PHYSICS LETTERS, 1983, 96 (02) : 183 - 191
[4] STUDIES ON METAL-METAL BONDS .2. CRYSTAL AND MOLECULAR-STRUCTURES AND OTHER PHYSICAL-PROPERTIES OF (ETA-5-C5H5)2CO2(NO)2-X(CO)X=1,0) - COMMENT ON EAN RULE
BERNAL, I
KORP, JD
REISNER, GM
HERRMANN, WA
[J]. JOURNAL OF ORGANOMETALLIC CHEMISTRY, 1977, 139 (03) : 321 - 336
[5] RELATIONSHIP BETWEEN THE METAL-METAL DISTANCE AND THE NATURE OF THE LIGANDS IN DIMERS DOUBLY BRIDGED BY CARBONYL, NITROSYL, OR CARBENE GROUPS
BOTTOMLEY, F
[J]. INORGANIC CHEMISTRY, 1983, 22 (18) : 2656 - 2660
[6] A TRIPLET GROUND-STATE FOR THE PLANAR CONFORMATION OF (MU-NO)2[CO(ETA-5-C5H5)]2
DEMUYNCK, J
MOUGENOT, P
BENARD, M
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1987, 109 (08) : 2265 - 2267
[7] CALCULATION OF THE IONIZATION ENERGIES OF CROC13 BY CONFIGURATION-INTERACTION AND DELTA-SCF METHODS
DORAN, M
HILLIER, IH
SEDDON, EA
SEDDON, KR
THOMAS, VH
GUEST, MF
[J]. CHEMICAL PHYSICS LETTERS, 1979, 63 (03) : 612 - 614
[8] A STUDY OF THE ELECTRONIC-STRUCTURE OF THE DIMERS [CO2(ETA-C5ME5)2(CO)2], [RH2(ETAC5ME5)2(CO)2], [CO2(ETAC5ME5)2(NO)2], AND [CO2(ETAC5ME5)2-(CO)(NO)] BY HE-I AND HE-II PHOTOELECTRON-SPECTROSCOPY
DUDENEY, N
GREEN, JC
KIRCHNER, ON
SMALLWOOD, FS
[J]. JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 1984, (09): : 1883 - 1887
[9] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
DUNNING, TH
[J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (07) : 2823 - +
[10] UV PHOTOELECTRON-SPECTRUM AND ELECTRONIC-STRUCTURE OF (FE(ETA-5-C5H5)(MU-NO))2 - AN INTERPRETATION BY MEANS OF ABINITIO CI CALCULATIONS
GRANOZZI, G
MOUGENOT, P
DEMUYNCK, J
BENARD, M
[J]. INORGANIC CHEMISTRY, 1987, 26 (16) : 2588 - 2594