MONTE-CARLO RESULTS FOR HYDROGEN-BOND DISTRIBUTIONS IN LIQUID WATER

被引：60

作者：

JORGENSEN, WL

机构：

来源：

CHEMICAL PHYSICS LETTERS | 1980年 / 70卷 / 02期

关键词：

D O I：

10.1016/0009-2614(80)85344-9

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：326 / 329

页数：4

共 22 条

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MOSKOWITZ, JW ;

STILLINGER, FH .

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[3] QUANTUM AND STATISTICAL MECHANICAL STUDIES OF LIQUIDS .4. MINIMAL BASIS SET DESCRIPTION OF THE STRUCTURE AND PROPERTIES OF LIQUID WATER [J].

JORGENSEN, WL .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (08) :2016-2021

[4] BASIS SET DEPENDENCE OF THE STRUCTURE AND PROPERTIES OF LIQUID-HYDROGEN FLUORIDE [J].

JORGENSEN, WL .

JOURNAL OF CHEMICAL PHYSICS, 1979, 70 (12) :5888-5897

[5] QUANTUM AND STATISTICAL MECHANICAL STUDIES OF LIQUIDS .3. DERIVING INTER-MOLECULAR POTENTIAL FUNCTIONS FOR THE WATER DIMER FROM AB-INITIO CALCULATIONS [J].

JORGENSEN, WL .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (08) :2011-2016

[6]

JORGENSEN WL, UNPUBLISHED

[7] STUDY OF STRUCTURE OF MOLECULAR COMPLEXES .7. EFFECT OF CORRELATION ENERGY CORRECTIONS TO HARTREE-FOCK WATER-WATER POTENTIAL ON MONTE-CARLO SIMULATIONS OF LIQUID WATER [J].

KISTENMACHER, H ;

POPKIE, H ;

CLEMENTI, E ;

WATTS, RO .

JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (11) :4455-4465

[8] WATER MOLECULE INTERACTIONS - STABILITY OF CYCLIC POLYMERS [J].

LENTZ, BR ;

SCHERAGA, HA .

JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (12) :5296-5308

[9] STUDY OF STRUCTURE OF MOLECULAR COMPLEXES .13. MONTE-CARLO SIMULATION OF LIQUID WATER WITH A CONFIGURATION INTERACTION PAIR POTENTIAL [J].

LIE, GC ;

CLEMENTI, E ;

YOSHIMINE, M .

JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (06) :2314-2323

[10]

LUCK WAP, 1976, HYDROGEN BOND, pCH28

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