MOLECULAR-MODEL FOR AQUEOUS FERROUS FERRIC ELECTRON-TRANSFER

被引:469
作者
KUHARSKI, RA
BADER, JS
CHANDLER, D
SPRIK, M
KLEIN, ML
IMPEY, RW
机构
[1] UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
[2] UNIV PENN,DEPT CHEM,PHILADELPHIA,PA 19104
[3] NATL RES COUNCIL CANADA,DIV INFORMAT,OTTAWA K1A 0R6,ONTARIO,CANADA
关键词
D O I
10.1063/1.454929
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
收藏
页码:3248 / 3257
页数:10
相关论文
共 40 条
[1]   SURFACE-STATES OF EXCESS ELECTRONS ON WATER CLUSTERS [J].
BARNETT, RN ;
LANDMAN, U ;
CLEVELAND, CL ;
JORTNER, J .
PHYSICAL REVIEW LETTERS, 1987, 59 (07) :811-814
[2]   EFFICIENT ESTIMATION OF FREE-ENERGY DIFFERENCES FROM MONTE-CARLO DATA [J].
BENNETT, CH .
JOURNAL OF COMPUTATIONAL PHYSICS, 1976, 22 (02) :245-268
[3]  
Berendsen HJC, 1981, INTERMOLECULAR FORCE, P331, DOI DOI 10.1007/978-94-015-7658-1_21
[4]   A SEMI-CLASSICAL TREATMENT OF ELECTRON-EXCHANGE REACTIONS - APPLICATION TO THE HEXAAQUOIRON(II)-HEXAAQUOIRON(III) SYSTEM [J].
BRUNSCHWIG, BS ;
LOGAN, J ;
NEWTON, MD ;
SUTIN, N .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (18) :5798-5809
[5]   THE ROLE OF INNER-SPHERE CONFIGURATION CHANGES IN ELECTRON-EXCHANGE REACTIONS OF METAL-COMPLEXES [J].
BRUNSCHWIG, BS ;
CREUTZ, C ;
MACARTNEY, DH ;
SHAM, TK ;
SUTIN, N .
FARADAY DISCUSSIONS, 1982, 74 :113-127
[6]   EXPLOITING THE ISOMORPHISM BETWEEN QUANTUM-THEORY AND CLASSICAL STATISTICAL-MECHANICS OF POLYATOMIC FLUIDS [J].
CHANDLER, D ;
WOLYNES, PG .
JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (07) :4078-4095
[7]  
CHANDLER D, 1987, INTRO MODERN STATIST, pCH6
[8]   NONADDITIVITY OF ABINITIO PAIR POTENTIALS FOR MOLECULAR-DYNAMICS OF MULTIVALENT TRANSITION-METAL IONS IN WATER [J].
CURTISS, LA ;
HALLEY, JW ;
HAUTMAN, J ;
RAHMAN, A .
JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (04) :2319-2327
[9]   STATIONARY PHASE MONTE-CARLO METHODS - AN EXACT FORMULATION [J].
DOLL, JD ;
FREEMAN, DL ;
GILLAN, MJ .
CHEMICAL PHYSICS LETTERS, 1988, 143 (03) :277-283
[10]  
Feynman R P, 1972, STATISTICAL MECHANIC