A MULTI-REFERENCE APPROACH TO ENERGY DECOMPOSITION FOR MOLECULAR-INTERACTIONS

被引：26

作者：

BERNARDI, F ^{[1
]}

ROBB, MA ^{[1
]}

机构：

[1] IST CHIM ORGAN,BOLOGNA,ITALY

来源：

MOLECULAR PHYSICS | 1983年 / 48卷 / 06期

关键词：

D O I：

10.1080/00268978300100961

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：1345 / 1355

页数：11

共 26 条

[11] NEW ENERGY DECOMPOSITION SCHEME FOR MOLECULAR-INTERACTIONS WITHIN HARTREE-FOCK APPROXIMATION
KITAURA, K
MOROKUMA, K
[J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1976, 10 (02) : 325 - 340
[12] MOLECULAR-ORBITAL STUDIES OF ELECTRON DONOR-ACCEPTOR COMPLEXES .1. CARBONYL CYANIDE-ROR AND TETRACYANOETHYLENE-ROR COMPLEXES
LATHAN, WA
MOROKUMA, K
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (13) : 3615 - 3622
[13] LATHAN WA, 1974, PROGR PHYS ORG CHEM, V11, P175
[14] ORIGIN OF BARRIERS TO INTERNAL-ROTATION - ENERGY DECOMPOSITION STUDY FOR CH3-CH3, CH3-NH2, AND CH3-OH
MOROKUMA, K
UMEYAMA, H
[J]. CHEMICAL PHYSICS LETTERS, 1977, 49 (02) : 333 - 337
[15] MOLECULAR ORBITAL STUDIES OF HYDROGEN BONDS .3. C=O H-O HYDROGEN BOND IN H2CO H2O AND H2CO 2H2O
MOROKUMA, K
[J]. JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (03) : 1236 - &
[16] THEORY OF INTERMOLECULAR FORCES IN REGION OF SMALL ORBITAL OVERLAP
MURRELL, JN
RANDIC, M
WILLIAMS, DR
[J]. PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1965, 284 (1399): : 566 - &
[17] ABINITIO MOLECULAR-ORBITAL STUDY OF ORGANIC-REACTIONS - ENERGY, CHARGE, AND SPIN DECOMPOSITION ANALYSES AT TRANSITION-STATE AND ALONG REACTION PATHWAY
NAGASE, S
MOROKUMA, K
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (06) : 1666 - 1672
[18] REACTION PATHS OF SOME OPEN-SHELL REACTIVE INTERMEDIATES - INTERMOLECULAR PERTURBATION APPROACH
NAGASE, S
FUENO, T
[J]. THEORETICA CHIMICA ACTA, 1976, 41 (01): : 59 - 70
[19] INTERMOLECULAR PERTURBATION APPROACH TO HYDROGEN BONDINGS IN SYSTEMS IN GROUND AND EXCITED ELECTRONIC STATES
NAGASE, S
FUENO, T
[J]. THEORETICA CHIMICA ACTA, 1974, 35 (03): : 217 - 230
[20] INTERMOLECULAR SELF-CONSISTENT-FIELD PERTURBATION-THEORY FOR ORGANIC-REACTIONS .1. THEORY AND IMPLEMENTATION - NUCLEOPHILIC-ATTACK ON CARBONYL-COMPOUNDS
STONE, AJ
ERSKINE, RW
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (24) : 7185 - 7192

← 1 2 3 →