CONTRACTED CI CALCULATIONS OF MODELS FOR CATALYTIC REACTIONS INVOLVING TRANSITION-METALS

被引：70

作者：

BLOMBERG, M

BRANDEMARK, U

PETTERSSON, L

SIEGBAHN, P

机构：

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1983年 / 23卷 / 03期

关键词：

D O I：

10.1002/qua.560230309

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

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页码：855 / 863

页数：9

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[1] AKERMARK B, 1979, J AM CHEM SOC, V101, P5876
[2] REDUCTIVE ELIMINATION OF HH, HCH3, AND CH3CH3 FROM BIS(PHOSPHINE)PLATINUM(II), BIS(PHOSPHINE)PALLADIUM(II), AND BIS(PHOSPHINE)NICKEL(II) COMPLEXES - A THEORETICAL-STUDY USING THE SCF-X-ALPHA-SW METHOD
BALAZS, AC
JOHNSON, KH
WHITESIDES, GM
[J]. INORGANIC CHEMISTRY, 1982, 21 (06) : 2162 - 2174
[3] ON CORRELATION IN THE 1ST ROW TRANSITION-METAL ATOMS
BAUSCHLICHER, CW
WALCH, SP
PARTIDGE, H
[J]. JOURNAL OF CHEMICAL PHYSICS, 1982, 76 (02) : 1033 - 1039
[4] BLOMBERG MRA, UNPUB J CHEM PHYS
[5] BLOMBERG MRA, UNPUB MOL PHYS
[6] ALKANE DEHYDROGENATION BY IRIDIUM COMPLEXES
CRABTREE, RH
MELLEA, MF
MIHELCIC, JM
QUIRK, JM
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1982, 104 (01) : 107 - 113
[7] Davidson E.R., 1974, WORLD QUANTUM CHEM
[8] DEDIEU A, 1980, QUANTUM THEORY CHEM, V2
[9] Hoffmann R. D, UNPUB
[10] GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I.
HUZINAGA, S
[J]. JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (04) : 1293 - &