AN EVALUATION OF WATER WATER ANALYTICAL POTENTIALS IN THE REGION OF LOW-ENERGY TRIFURCATED STRUCTURES

被引：15

作者：

MEZEI, M

DANNENBERG, JJ

机构：

[1] CUNY HUNTER COLL,CTR STUDY GENE STRUCT & FUNCT,NEW YORK,NY 10021

[2] CUNY,GRAD SCH,NEW YORK,NY 10021

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1988年 / 92卷 / 21期

关键词：

D O I：

10.1021/j100332a003

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：5860 / 5861

页数：2

共 19 条

[1]

Berendsen H. J. C., 1981, JERUSALEM S QUANTUM

[2]

BINKLEY JS, GAUSSIAN 82

[3] USE OF A NON-PAIR-ADDITIVE INTERMOLECULAR POTENTIAL FUNCTION TO FIT QUANTUM-MECHANICAL DATA ON WATER MOLECULE INTERACTIONS [J].

CAMPBELL, ES ;

MEZEI, M .

JOURNAL OF CHEMICAL PHYSICS, 1977, 67 (05) :2338-2344

[4] A NEW 2-BODY WATER WATER POTENTIAL [J].

CLEMENTI, E ;

HABITZ, P .

JOURNAL OF PHYSICAL CHEMISTRY, 1983, 87 (15) :2815-2820

[5]

DANNENBERG JJ, IN PRESS J PHYS CHEM

[6] BASIS SET AND CORRELATION-EFFECTS ON COMPUTED HYDROGEN-BOND ENERGIES OF THE DIMERS (NH3)2, (OH2)2 AND (FH)2 [J].

DELBENE, JE .

JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (04) :2110-2113

[7] THE DEVELOPMENT AND USE OF QUANTUM-MECHANICAL MOLECULAR-MODELS .76. AM1 - A NEW GENERAL-PURPOSE QUANTUM-MECHANICAL MOLECULAR-MODEL [J].

DEWAR, MJS ;

ZOEBISCH, EG ;

HEALY, EF ;

STEWART, JJP .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1985, 107 (13) :3902-3909

[8] SCF-CI STUDIES OF CORRELATION EFFECTS ON HYDROGEN-BONDING AND ION HYDRATION - SYSTEMS - H2O,H+ . H2O, LI+ . H2O, F- . H2O, AND H2O . H2O [J].

DIERCKSEN, GHF ;

KRAEMER, WP ;

ROOS, BO .

THEORETICA CHIMICA ACTA, 1975, 36 (04) :249-274

[9] STRUCTURE OF WATER DIMER FROM MOLECULAR-BEAM ELECTRIC RESONANCE SPECTROSCOPY [J].

DYKE, TR ;

MACK, KM ;

MUENTER, JS .

JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (02) :498-510

[10] MOLECULAR-ORBITAL STUDY OF THE DIMERS (AHN)2 FORMED FROM NH3, OH2, FH, PH3, SH2, AND CIH [J].

FRISCH, MJ ;

POPLE, JA ;

DELBENE, JE .

JOURNAL OF PHYSICAL CHEMISTRY, 1985, 89 (17) :3664-3669

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