VARIATION-PERTURBATION TREATMENT OF HYDROGEN-BOND BETWEEN WATER MOLECULES

被引：274
作者：
JEZIORSKI, B
VANHEMERT, M
机构：
[1] CTR EUROPEEN CALCUL ATOM & MOLEC,F-91405 ORSAY,FRANCE
[2] UNIV LEIDEN GORLAEUS LABS,DEPT PHYS CHEM 3,LEIDEN,NETHERLANDS
来源：
MOLECULAR PHYSICS | 1976年 / 31卷 / 03期
关键词：
D O I：
10.1080/00268977600100551
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：713 / 729
页数：17
相关论文
共 42 条
[1]   SEMIEMPIRICAL DETERMINATION OF HYDROGEN BOND ENERGY FOR WATER CLUSTERS IN VAPOR PHASE .I. GENERAL THEORY AND APPLICATION TO DIMER [J].
BOLANDER, RW ;
KASSNER, JL ;
ZUNG, JT .
JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (10) :4402-&
[2]   BOND ORBITAL ANALYSIS OF HYDROGEN-BOND IN LINEAR WATER DIMER [J].
BOWERS, MJT ;
PITZER, RM .
JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (01) :163-166
[3]   PERTURBED HARTREE-FOCK THEORY .I. DIAGRAMMATIC DOUBLE-PERTURBATION ANALYSIS [J].
CAVES, TC ;
KARPLUS, M .
JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (09) :3649-&
[4]   EXACT CALCULATION OF EXCHANGE POLARIZATION ENERGY FOR H2+ ION [J].
CHALASINSKI, G ;
JEZIORSKI, B .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1973, 7 (01) :63-73
[5]   EXACT TREATMENT OF INDUCTION INTERACTION BETWEEN ATOMS IN HYDROGEN MOLECULE [J].
CHALASINSKI, G ;
JEZIORSKI, B .
MOLECULAR PHYSICS, 1974, 27 (03) :649-655
[6]   PERTURBATION THEORIES FOR CALCULATION OF MOLECULAR INTERACTION ENERGIES .2. APPLICATION TO H+2 [J].
CHIPMAN, DM ;
HIRSCHFE.JO .
JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (06) :2838-2857
[7]   PERTURBATION THEORIES FOR CALCULATION OF MOLECULAR INTERACTION ENERGIES .1. GENERAL FORMALISM [J].
CHIPMAN, DM ;
BOWMAN, JD ;
HIRSCHFE.JO .
JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (06) :2830-2837
[8]   STUDY OF STRUCTURE OF MOLECULAR COMPLEXES .1. ENERGY SURFACE OF A WATER MOLECULE IN FIELD OF A LITHIUM POSITIVE-ION [J].
CLEMENTI, E ;
POPKIE, H .
JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (03) :1077-&
[9]   DEPENDENCE OF EXCHANGE AND COULOMB ENERGIES ON WAVE-FUNCTIONS OF INTERACTING SYSTEMS [J].
CONWAY, A ;
MURRELL, JN .
MOLECULAR PHYSICS, 1972, 23 (06) :1143-&
[10]  
Coulson C. A., 1957, RESEARCH, V10, P149
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