CONSTANT TEMPERATURE MOLECULAR-DYNAMICS CALCULATION ON LENNARD-JONES FLUID AND ITS APPLICATION TO WATER

被引：58

作者：

TANAKA, H ^{[1
]}

NAKANISHI, K ^{[1
]}

WATANABE, N ^{[1
]}

机构：

[1] KYOTO UNIV,DEPT IND CHEM,SAKYO KU,KYOTO 606,JAPAN

来源：

JOURNAL OF CHEMICAL PHYSICS | 1983年 / 78卷 / 05期

关键词：

D O I：

10.1063/1.445020

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：2626 / 2634

页数：9

共 28 条

[1] STUDIES IN MOLECULAR DYNAMICS .1. GENERAL METHOD [J].

ALDER, BJ ;

WAINWRIGHT, TE .

JOURNAL OF CHEMICAL PHYSICS, 1959, 31 (02) :459-466

[2] MOLECULAR-DYNAMICS SIMULATIONS AT CONSTANT PRESSURE AND-OR TEMPERATURE [J].

ANDERSEN, HC .

JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (04) :2384-2393

[3]

BERNE BJ, 1977, STATISTICAL MECHAN B

[4] REPRESENTATION OF ORIENTATION SPACE [J].

EVANS, DJ .

MOLECULAR PHYSICS, 1977, 34 (02) :317-325

[5]

FRANKS F, 1979, WATER COMPREHENSIVE, V6

[6]

HAILE JM, 1980, J CHEM PHYS, V73, P2412, DOI 10.1063/1.440391

[7]

Hirschfelder J. O., 1954, MOL THEORY GASES LIQ

[8]

HITWARTARI Y, 1978, J CHEM PHYS, V68, P340

[9] MOLECULAR-DYNAMICS STUDIES OF THE STRUCTURE OF WATER AT HIGH-TEMPERATURES AND DENSITY [J].

IMPEY, RW ;

KLEIN, ML ;

MCDONALD, IR .

JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (01) :647-652

[10] 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

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