PERTURBATION CALCULATIONS OF MOLECULAR INTERACTION ENERGIES - AN EXAMPLE, HF=HF

被引：21

作者：

AMOVILLI, C ^{[1
]}

MCWEENY, R ^{[1
]}

机构：

[1] UNIV PISA,DIPARTIMENTO CHIM & CHIM IND,I-56100 PISA,ITALY

来源：

CHEMICAL PHYSICS LETTERS | 1986年 / 128卷 / 01期

关键词：

D O I：

10.1016/0009-2614(86)80137-3

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

页码：11 / 17

页数：7

共 19 条

[1] CALCULATION OF SMALL MOLECULAR INTERACTIONS BY DIFFERENCES OF SEPARATE TOTAL ENERGIES - SOME PROCEDURES WITH REDUCED ERRORS
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[J]. MOLECULAR PHYSICS, 1970, 19 (04) : 553 - &
[2] GEOMETRIES OF VANDERWAALS COMPLEXES OF SMALL POLAR-MOLECULES
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MURRELL, JN
[J]. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1983, 79 : 1455 - 1464
[3] AN IMPROVED INTERMOLECULAR POTENTIAL FUNCTION FOR SIMULATIONS OF LIQUID-HYDROGEN FLUORIDE
COURNOYER, ME
JORGENSEN, WL
[J]. MOLECULAR PHYSICS, 1984, 51 (01) : 119 - 132
[4] ABINITIO CALCULATION OF FORCE-FIELD OF HYDROGEN-FLUORIDE DIMER
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POPLE, JA
[J]. JOURNAL OF MOLECULAR SPECTROSCOPY, 1976, 61 (01) : 1 - 10
[5] INTERACTION OF 2 ELECTRONIC SYSTEMS AT SHORT AND MEDIUM RANGE
DACRE, PD
MCWEENY, R
[J]. PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1970, 317 (1530): : 435 - &
[6] AN INTERMOLECULAR PERTURBATION-THEORY FOR THE REGION OF MODERATE OVERLAP
HAYES, IC
STONE, AJ
[J]. MOLECULAR PHYSICS, 1984, 53 (01) : 83 - 105
[7] INTERMOLECULAR PERTURBATION-THEORY APPLICATIONS TO HEBE, ARHF, ARHCL AND NEH2
HAYES, IC
HURST, GJB
STONE, AJ
[J]. MOLECULAR PHYSICS, 1984, 53 (01) : 107 - 127
[8] MINIMAL BASIS SET MINI-1 POWERFUL TOOL FOR CALCULATING OF MOLECULAR-INTERACTIONS .1. NEUTRAL COMPLEXES
HOBZA, P
SAUER, J
[J]. THEORETICA CHIMICA ACTA, 1984, 65 (04): : 279 - 290
[9] TIME-DEPENDENT HARTREE-FOCK CALCULATIONS OF DISPERSION ENERGY
JASZUNSKI, M
MCWEENY, R
[J]. MOLECULAR PHYSICS, 1985, 55 (06) : 1275 - 1286
[10] STRUCTURE AND DYNAMICS OF ASSOCIATED MOLECULAR-SYSTEMS .1. COMPUTER-SIMULATION OF LIQUID-HYDROGEN FLUORIDE
KLEIN, ML
MCDONALD, IR
[J]. JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (01) : 298 - 308

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