ABINITIO CALCULATIONS AS A SOURCE OF INTERMOLECULAR POTENTIAL FUNCTIONS - ETHANOL-WATER WITH A MINIMAL BASIS SET

被引：23
作者：
ALAGONA, G
TANI, A
机构：
来源：
JOURNAL OF CHEMICAL PHYSICS | 1981年 / 74卷 / 07期
关键词：
D O I：
10.1063/1.441578
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：
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页码：3980 / 3988
页数：9
相关论文
共 37 条
[1]  
BELLWEGE KH, 1976, LANDOLTBORNSTEIN NUM, V7
[2]   ANALYTICAL POTENTIALS FROM ABINITIO COMPUTATIONS FOR INTERACTION BETWEEN BIOMOLECULES .3. RELIABILITY AND TRANSFERABILITY OF PAIR POTENTIALS [J].
BOLIS, G ;
CLEMENTI, E .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (17) :5550-5557
[3]   THEORETICAL INVESTIGATIONS ON SOLVATION PROCESS .1. A SIMPLE MODEL FOR DIMERIC WATER ASSOCIATE [J].
BONACCOR.R ;
PETRONGO.C ;
SCROCCO, E ;
TOMASI, J .
THEORETICA CHIMICA ACTA, 1971, 20 (04) :331-&
[4]  
BOYS SF, 1970, MOL PHYS, V19, P563
[5]  
CLAVERIE P, 1978, INTERMOLECULAR INTER
[6]   NONADDITIVITY OF INTERACTION IN WATER TRIMERS [J].
CLEMENTI, E ;
KOLOS, W ;
LIE, GC ;
RANGHINO, G .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1980, 17 (03) :377-398
[7]   ANALYTICAL POTENTIALS FROM ABINITIO COMPUTATIONS FOR INTERACTION BETWEEN BIOMOLECULES .1. WATER WITH AMINO-ACIDS [J].
CLEMENTI, E ;
CAVALLONE, F ;
SCORDAMAGLIA, R .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (17) :5531-5545
[8]   INTERMOLECULAR POTENTIALS - INTERACTION OF WATER WITH LYSOZYME [J].
CLEMENTI, E ;
RANGHINO, G ;
SCORDAMAGLIA, R .
CHEMICAL PHYSICS LETTERS, 1977, 49 (02) :218-224
[9]  
CORONGIU G, 1976, THESIS U PISA
[10]  
CURTISS LA, 1977, INT J QUANTUM CHEM, P459
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