ENTROPY ESTIMATION FROM SIMULATIONS OF NON-DIFFUSIVE SYSTEMS

被引：89

作者：

EDHOLM, O ^{[1
]}

BERENDSEN, HJC ^{[1
]}

机构：

[1] STATE UNIV GRONINGEN,PHYS CHEM LAB,9747 AG GRONINGEN,NETHERLANDS

来源：

MOLECULAR PHYSICS | 1984年 / 51卷 / 04期

关键词：

D O I：

10.1080/00268978400100661

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：1011 / 1028

页数：18

共 13 条

[1]

[Anonymous], MODERN THEORETICAL C

[2]

DINOLA A, 1984, UNPUB MACROMOLECULES

[3] CONFORMATIONAL ENTROPY OF A BILAYER-MEMBRANE DERIVED FROM A MOLECULAR-DYNAMICS SIMULATION [J].

EDHOLM, O ;

BERENDSEN, HJC ;

VANDERPLOEG, P .

MOLECULAR PHYSICS, 1983, 48 (02) :379-388

[4] USE OF CLASSICAL STATISTICAL-MECHANICS IN TREATMENT OF POLYMER-CHAIN CONFORMATION [J].

GO, N ;

SCHERAGA, HA .

MACROMOLECULES, 1976, 9 (04) :535-542

[5] MELTING TRANSITION AND COMMUNAL ENTROPY FOR HARD SPHERES [J].

HOOVER, WG ;

REE, FH .

JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (08) :3609-&

[6]

KARPLUS M, 1981, MACROMOLECULES, V14, P325, DOI 10.1021/ma50003a019

[7]

Landau L. D., 1980, STAT PHYS THEORY CON

[8]

POSTMA JPM, 1983, FARADAY S, V17

[9] NON-DESTRUCTIVE MOLECULAR-DYNAMICS SIMULATION OF THE CHEMICAL-POTENTIAL OF A FLUID [J].

POWLES, JG ;

EVANS, WAB ;

QUIRKE, N .

MOLECULAR PHYSICS, 1982, 46 (06) :1347-1370

[10] MONTE-CARLO ESTIMATION OF FREE-ENERGY BY MULTISTAGE SAMPLING [J].

VALLEAU, JP ;

CARD, DN .

JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (12) :5457-&

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