THE PSEUDO-POLARIZATION TENSOR MUTUALLY CONSISTENT-FIELD (PPT-MCF) METHOD - A NEW APPROACH TO STUDY INTERMOLECULAR INTERACTIONS AND ITS APPLICATION TO DIMERIC AND TRIMERIC WATER CONFIGURATIONS

被引:22
作者
OTTO, P [1 ]
机构
[1] UNIV ERLANGEN NURNBERG,NATL FDN CANC RES LAB,D-8520 ERLANGEN,FED REP GER
关键词
D O I
10.1002/qua.560280619
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:895 / 911
页数:17
相关论文
共 21 条
[1]   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
[2]  
CLEMENTI E, 1980, LECTURE NOTES CHEM, V19
[3]   SCF-MO-LCGO STUDIES ON HYDROGEN BONDING - WATER DIMER [J].
DIERCKSEN, GH .
THEORETICA CHIMICA ACTA, 1971, 21 (04) :335-+
[4]  
FORNER W, 1981, THEOR CHIM ACTA, V60, P269
[5]   LONG-RANGE INTERACTION OF 2 LS-HYDROGEN ATOMS EXPRESSED IN TERMS OF NATURAL SPIN-ORBITALS [J].
HIRSCHFELDER, JO ;
LOWDIN, PO .
MOLECULAR PHYSICS, 1959, 2 (03) :229-258
[6]   CORRECTIONS [J].
HIRSCHFELDER, JO .
MOLECULAR PHYSICS, 1965, 9 (05) :491-+
[7]  
HIRSCHFELDER JO, 1979, J CHEM PHYS, V52, P5977
[8]   MANY-BODY PERTURBATION THEORY FOR MOLECULES BASED ON A UNITED ATOM MODEL [J].
LEE, T ;
DUTTA, NC ;
DAS, TP .
PHYSICAL REVIEW LETTERS, 1970, 25 (04) :204-&
[9]  
Margenau H., 1971, THEORY INTERMOLECULA
[10]   ACCURATE PERTURBATION-VARIATION TREATMENT OF HYDROGEN MOLECULE [J].
MATCHA, RL ;
BROWN, WB .
JOURNAL OF CHEMICAL PHYSICS, 1968, 48 (01) :74-&