COMMENT ON CONSTRAINED MOLECULAR-DYNAMICS OF MACROMOLECULES

被引：44

作者：

TOXVAERD, S

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1987年 / 87卷 / 10期

关键词：

D O I：

10.1063/1.453488

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：6140 / 6143

页数：4

共 14 条

[1] CONSTRAINED MOLECULAR-DYNAMICS - SIMULATIONS OF LIQUID ALKANES WITH A NEW ALGORITHM [J].

EDBERG, R ;

EVANS, DJ ;

MORRISS, GP .

JOURNAL OF CHEMICAL PHYSICS, 1986, 84 (12) :6933-6939

[2] RHEOLOGY OF N-ALKANES BY NONEQUILIBRIUM MOLECULAR-DYNAMICS [J].

EDBERG, R ;

MORRISS, GP ;

EVANS, DJ .

JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (08) :4555-4570

[3] BROWNIAN DYNAMICS STUDY OF TRANSITIONS IN A POLYMER-CHAIN OF BISTABLE OSCILLATORS [J].

HELFAND, E .

JOURNAL OF CHEMICAL PHYSICS, 1978, 69 (03) :1010-1018

[4] CANONICAL DYNAMICS - EQUILIBRIUM PHASE-SPACE DISTRIBUTIONS [J].

HOOVER, WG .

PHYSICAL REVIEW A, 1985, 31 (03) :1695-1697

[5] ISOMERIZATION DYNAMICS IN LIQUIDS BY MOLECULAR-DYNAMICS [J].

ROSENBERG, RO ;

BERNE, BJ ;

CHANDLER, D .

CHEMICAL PHYSICS LETTERS, 1980, 75 (01) :162-168

[6] SPECIAL GEOMETRICAL CONSTRAINTS IN THE MOLECULAR-DYNAMICS OF CHAIN MOLECULES [J].

RYCKAERT, JP .

MOLECULAR PHYSICS, 1985, 55 (03) :549-556

[7] 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

[8] MOLECULAR-DYNAMICS OF LIQUID ALKANES [J].

RYCKAERT, JP ;

BELLEMANS, A .

FARADAY DISCUSSIONS, 1978, 66 :95-106

[9] A MOLECULAR-DYNAMICS SIMULATION OF A WATER MODEL WITH INTRAMOLECULAR DEGREES OF FREEDOM [J].

TELEMAN, O ;

JONSSON, B ;

ENGSTROM, S .

MOLECULAR PHYSICS, 1987, 60 (01) :193-203

[10] SOLUTION OF THE GENERALIZED LANGEVIN EQUATION FOR A POLYMER IN A SOLVENT [J].

TOXVAERD, S .

JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (06) :3667-3672

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