MOLECULAR-DYNAMICS SIMULATION OF ION ASSOCIATION REACTIONS IN A POLAR-SOLVENT

被引：13

作者：

CICCOTTI, G

FERRARIO, M

HYNES, JT

KAPRAL, R

机构：

[1] UNIV COLORADO,DEPT CHEM & BIOCHEM,BOULDER,CO 80309

[2] UNIV TORONTO,DEPT CHEM,CHEM PHYS THEORY GRP,TORONTO M5S 1A1,ONTARIO,CANADA

[3] CNR,IST FIS ATOM & MOLEC,I-56100 PISA,ITALY

来源：

JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE | 1988年 / 85卷 / 10期

关键词：

D O I：

10.1051/jcp/1988850925

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

引用

页码：925 / 929

页数：5

共 12 条

[1]

[Anonymous], 1981, ADV CHEM PHYS

[2]

Bennett CH, 1977, ACS SYM SER, P63, DOI DOI 10.1021/BK-1977-0046.CH004

[3] ROLES OF CLASSICAL DYNAMICS AND QUANTUM DYNAMICS ON ACTIVATED PROCESSES OCCURRING IN LIQUIDS [J].

CHANDLER, D .

JOURNAL OF STATISTICAL PHYSICS, 1986, 42 (1-2) :49-67

[4]

CICCOTTI G, 1986, COMPUT PHYS REP, V4, P345, DOI 10.1016/0167-7977(86)90022-5

[5]

CICCOTTI G, IN PRESS

[6]

CICCOTTI G, 1987, MOL DYNAMICS SIMULAT

[7]

HYNES JT, 1985, THEORY CHEM REACTION, V4

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

ROSENBERG, RO ;

BERNE, BJ ;

CHANDLER, D .

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

[9] 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

[10] WATER-LIKE PARTICLES AT SURFACES .1. THE UNCHARGED, UNPOLARIZED SURFACE [J].

VALLEAU, JP ;

GARDNER, AA .

JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (07) :4162-4170

← 1 2 →