THE NI-CO BINDING-ENERGY IN NI(CO) 1-4 - A THEORETICAL INVESTIGATION

被引：44

作者：

BLOMBERG, MRA ^{[1
]}

BRANDEMARK, UB ^{[1
]}

SIEGBAHN, PEM ^{[1
]}

WENNERBERG, J ^{[1
]}

BAUSCHLICHER, CW ^{[1
]}

机构：

[1] NASA,AMES RES CTR,MOFFETT FIELD,CA 94035

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1988年 / 110卷 / 20期

关键词：

D O I：

10.1021/ja00228a008

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：6650 / 6655

页数：6

共 26 条

[1] THE COUPLED PAIR FUNCTIONAL (CPF) - A SIZE CONSISTENT MODIFICATION OF THE CI(SD) BASED ON AN ENERGY FUNCTIONAL
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SCHARF, P
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (02) : 890 - 898
[2] GENERAL CONTRACTION OF GAUSSIAN-BASIS SETS .1. ATOMIC NATURAL ORBITALS FOR 1ST-ROW AND 2ND-ROW ATOMS
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TAYLOR, PR
[J]. JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (07) : 4070 - 4077
[3] ON THE 1A1-3B1 SEPARATION IN CH2 AND SIH2
BAUSCHLICHER, CW
LANGHOFF, SR
TAYLOR, PR
[J]. JOURNAL OF CHEMICAL PHYSICS, 1987, 87 (01) : 387 - 391
[4] HOW IMPORTANT IS CORRELATION IN THE DESCRIPTION OF THE NI-H2O INTERACTION
BAUSCHLICHER, CW
[J]. CHEMICAL PHYSICS LETTERS, 1987, 142 (1-2) : 71 - 75
[5] TRANSITION-METAL LIGAND BONDING .2.
BAUSCHLICHER, CW
[J]. JOURNAL OF CHEMICAL PHYSICS, 1986, 84 (01) : 260 - 267
[6] DENSITY FUNCTIONAL CALCULATIONS OF MOLECULAR-BOND ENERGIES
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1986, 84 (08) : 4524 - 4529
[7] THE VIBRATIONAL FREQUENCIES, THE DISSOCIATION-ENERGY, AND THE ELECTRON-AFFINITY OF NICKEL CARBONYL
BLOMBERG, M
BRANDEMARK, U
JOHANSSON, J
SIEGBAHN, P
WENNERBERG, J
[J]. JOURNAL OF CHEMICAL PHYSICS, 1988, 88 (07) : 4324 - 4333
[8] INTERACTION BETWEEN NICKEL AND THE LIGAND GROUPS CARBONYL, WATER, AND PHOSPHINE
BLOMBERG, MRA
BRANDEMARK, UB
SIEGBAHN, PEM
MATHISEN, KB
KARLSTROM, G
[J]. JOURNAL OF PHYSICAL CHEMISTRY, 1985, 89 (11) : 2171 - 2180
[9] ABINITIO SCF STUDY OF THE VIBRATIONAL-SPECTRA OF NICKEL CARBONYLS NI(CO)N, N= 1-4
CARSKY, P
DEDIEU, A
[J]. CHEMICAL PHYSICS, 1986, 103 (2-3) : 265 - 275
[10] A MODIFIED COUPLED PAIR FUNCTIONAL-APPROACH
CHONG, DP
LANGHOFF, SR
[J]. JOURNAL OF CHEMICAL PHYSICS, 1986, 84 (10) : 5606 - 5610

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