AN INVESTIGATION OF CORRELATION-EFFECTS IN TRANSITION-METAL SANDWICH COMPLEXES - HARTREE-FOCK STUDIES ON A SERIES OF METALLOCENES

被引:58
作者
ALMLOF, J [1 ]
FAEGRI, K [1 ]
SCHILLING, BER [1 ]
LUTHI, HP [1 ]
机构
[1] UNIV ZURICH,DEPT INORGAN CHEM,CH-8057 ZURICH,SWITZERLAND
关键词
D O I
10.1016/0009-2614(84)80293-6
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:266 / 270
页数:5
相关论文
共 41 条
[1]   DYNAMIC JAHN-TELLER EFFECT AND AVERAGE STRUCTURE OF DICYCLOPENTADIENYLCOBALT, (C5H5)2CO, STUDIED BY GAS-PHASE ELECTRON-DIFFRACTION [J].
ALMENNINGEN, A ;
GARD, E ;
HAALAND, A ;
BRUNVOLL, J .
JOURNAL OF ORGANOMETALLIC CHEMISTRY, 1976, 107 (02) :273-279
[2]   MOLECULAR-STRUCTURE OF DECAMETHYLFERROCENE STUDIED BY GAS-PHASE ELECTRON-DIFFRACTION - DETERMINATION OF EQUILIBRIUM CONFORMATION AND BARRIER TO INTERNAL-ROTATION OF THE LIGAND RINGS [J].
ALMENNINGEN, A ;
HAALAND, A ;
SAMDAL, S ;
BRUNVOLL, J ;
ROBBINS, JL ;
SMART, JC .
JOURNAL OF ORGANOMETALLIC CHEMISTRY, 1979, 173 (03) :293-299
[3]   PRINCIPLES FOR A DIRECT SCF APPROACH TO LCAO-MO ABINITIO CALCULATIONS [J].
ALMLOF, J ;
FAEGRI, K ;
KORSELL, K .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1982, 3 (03) :385-399
[4]   BASIS SET EFFECTS IN HARTREE-FOCK STUDIES ON AROMATIC-MOLECULES - HARTREE-FOCK CALCULATIONS OF PROPERTIES IN BENZENE AND HEXAFLUOROBENZENE [J].
ALMLOF, J ;
FAEGRI, K .
JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (05) :2284-2294
[5]   THE MOLECULAR-STRUCTURES OF 1,1'-DIMETHYLGERMANOCENE AND 1,1'-DIMETHYLSTANNOCENE, (C5H4ME)2GE, (C5H4ME)2SN DETERMINED BY GAS ELECTRON-DIFFRACTION - SELF-CONSISTENT FIELD MOLECULAR-ORBITAL CALCULATIONS ON GERMANOCENE, (C5H5)2GE [J].
ALMLOF, J ;
FERNHOLT, L ;
FAEGRI, K ;
HAALAND, A ;
SCHILLING, BER ;
SEIP, R ;
TAUGBOL, K .
ACTA CHEMICA SCANDINAVICA SERIES A-PHYSICAL AND INORGANIC CHEMISTRY, 1983, 37 (02) :131-140
[6]  
ARONEY M, 1960, J CHEM SOC, P812
[7]  
BAGUS P, 1974, J CHEM PHYS, V64, P2324
[8]  
BAGUS PS, 1973, J CHEM PHYS, V38, P1844
[9]   VALENCE CORRELATION IN THE S2DN, SDN+1, AND DN+2 STATES OF THE 1ST-ROW TRANSITION-METAL ATOMS [J].
BOTCH, BH ;
DUNNING, TH ;
HARRISON, JF .
JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (07) :3466-3476
[10]   POLARIZATION OF LASER LIGHT SCATTERED BY GASES [J].
BRIDGE, NJ ;
BUCKINGHAM, AD .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1966, 295 (1442) :334-+