MOLECULAR-DYNAMICS STUDIES OF THE STRUCTURE OF WATER AT HIGH-TEMPERATURES AND DENSITY

被引：129

作者：

IMPEY, RW

KLEIN, ML

MCDONALD, IR

机构：

[1] NATL RES COUNCIL CANADA, DIV CHEM, OTTAWA K1A 0R6, ONTARIO, CANADA

[2] UNIV CAMBRIDGE, DEPT PHYS CHEM, CAMBRIDGE CB2 1EP, ENGLAND

来源：

JOURNAL OF CHEMICAL PHYSICS | 1981年 / 74卷 / 01期

关键词：

D O I：

10.1063/1.440823

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：647 / 652

页数：6

共 22 条

[11] CONVERGENCE CHARACTERISTICS OF MONTE-CARLO-METROPOLIS COMPUTER-SIMULATIONS ON LIQUID WATER [J].

MEZEI, M ;

SWAMINATHAN, S ;

BEVERIDGE, DL .

JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (08) :3366-3373

[12] LIQUID WATER - ATOM PAIR CORRELATION-FUNCTIONS FROM NEUTRON AND X-RAY-DIFFRACTION [J].

NARTEN, AH .

JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (11) :5681-+

[13] LIQUID WATER - MOLECULAR CORRELATION FUNCTIONS FROM X-RAY DIFFRACTION [J].

NARTEN, AH ;

LEVY, HA .

JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (05) :2263-+

[14]

OSHEA SF, UNPUBLISHED

[15]

OWICKI JC, 1979, J AM CHEM SOC, V99

[16] MOLECULAR DYNAMICS STUDY OF LIQUID WATER [J].

Rahman, A ;

Stillinger, FH .

JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (07) :3336-+

[17] PROPAGATION OF SOUND IN WATER - MOLECULAR-DYNAMICS STUDY [J].

RAHMAN, A ;

STILLINGER, FH .

PHYSICAL REVIEW A, 1974, 10 (01) :368-378

[18] FORCE BIAS MONTE-CARLO SIMULATION OF WATER - METHODOLOGY, OPTIMIZATION AND COMPARISON WITH MOLECULAR-DYNAMICS [J].

RAO, M ;

PANGALI, C ;

BERNE, BJ .

MOLECULAR PHYSICS, 1979, 37 (06) :1773-1798

[19] NUMERICAL-INTEGRATION OF CARTESIAN EQUATIONS OF MOTION OF A SYSTEM WITH CONSTRAINTS - MOLECULAR-DYNAMICS OF N-ALKANES [J].

RYCKAERT, JP ;

CICCOTTI, G ;

BERENDSEN, HJC .

JOURNAL OF COMPUTATIONAL PHYSICS, 1977, 23 (03) :327-341

[20] MOLECULAR-DYNAMICS STUDY OF LIQUID WATER UNDER HIGH COMPRESSION [J].

STILLINGER, FH ;

RAHMAN, A .

JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (12) :4973-4980

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