HOW IMPORTANT IS CORRELATION IN THE DESCRIPTION OF THE NI-H2O INTERACTION

被引：43

作者：

BAUSCHLICHER, CW

机构：

来源：

CHEMICAL PHYSICS LETTERS | 1987年 / 142卷 / 1-2期

关键词：

D O I：

10.1016/0009-2614(87)87252-4

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：71 / 75

页数：5

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[1] THE CHOICE OF GAUSSIAN-BASIS SETS FOR MOLECULAR ELECTRONIC-STRUCTURE CALCULATIONS
AHLRICHS, R
TAYLOR, PR
[J]. JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE, 1981, 78 (04) : 315 - 324
[2] GENERAL CONTRACTION OF GAUSSIAN-BASIS SETS .1. ATOMIC NATURAL ORBITALS FOR 1ST-ROW AND 2ND-ROW ATOMS
ALMLOF, J
TAYLOR, PR
[J]. JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (07) : 4070 - 4077
[3] ON THE NATURE OF THE BONDING OF LONE PAIR LIGANDS TO A TRANSITION-METAL
BAGUS, PS
HERMANN, K
BAUSCHLICHER, CW
[J]. JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (04) : 1966 - 1974
[4] H2O/NI(100) AND NH3/NI(100) - A COMPUTATIONAL APPROACH
BAUSCHLICHER, CW
[J]. JOURNAL OF CHEMICAL PHYSICS, 1985, 83 (06) : 3129 - 3133
[5] TRANSITION-METAL LIGAND BONDING .2.
BAUSCHLICHER, CW
[J]. JOURNAL OF CHEMICAL PHYSICS, 1986, 84 (01) : 260 - 267
[6] THE BINDING IN NEUTRAL TRANSITION-METAL WATER COMPLEXES
BLOMBERG, MRA
BRANDEMARK, UB
SIEGBAHN, PEM
[J]. CHEMICAL PHYSICS LETTERS, 1986, 126 (3-4) : 317 - 324
[7] 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
[8] DIPOLE-MOMENT OF WATER FROM STARK MEASUREMENTS OF H2O, HDO, AND D2O
CLOUGH, SA
BEERS, Y
KLEIN, GP
ROTHMAN, LS
[J]. JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (05) : 2254 - 2259
[9] THEORETICAL INVESTIGATION OF LI AND BE ATOM COMPLEXES WITH H2O
CURTISS, LA
POPLE, JA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (09) : 4230 - 4235
[10] ONE-ELECTRON PROPERTIES OF SEVERAL SMALL MOLECULES USING NEAR HARTREE-FOCK LIMIT BASIS-SETS
FELLER, D
BOYLE, CM
DAVIDSON, ER
[J]. JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (06) : 3424 - 3440