EVALUATION OF REACTION FREE-ENERGY SURFACES IN AQUEOUS-SOLUTION - AN INTEGRAL-EQUATION APPROACH

被引:70
作者
CHILES, RA [1 ]
ROSSKY, PJ [1 ]
机构
[1] UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
关键词
D O I
10.1021/ja00334a080
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:6867 / 6868
页数:2
相关论文
共 19 条
[1]   OPTIMIZED CLUSTER EXPANSIONS FOR CLASSICAL FLUIDS .2. THEORY OF MOLECULAR LIQUIDS [J].
CHANDLER, D ;
ANDERSEN, HC .
JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (05) :1930-+
[2]   CLUSTER DIAGRAMMATIC ANALYSIS OF RISM EQUATION [J].
CHANDLER, D .
MOLECULAR PHYSICS, 1976, 31 (04) :1213-1223
[3]   STATISTICAL-MECHANICS OF CHEMICAL-EQUILIBRIA AND INTRAMOLECULAR STRUCTURES OF NONRIGID MOLECULES IN CONDENSED PHASES [J].
CHANDLER, D ;
PRATT, LR .
JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (08) :2925-2940
[4]  
CHANDLER D, 1982, LIQUID STATE MATTER
[5]   SN2 REACTION PROFILES IN THE GAS-PHASE AND AQUEOUS-SOLUTION [J].
CHANDRASEKHAR, J ;
SMITH, SF ;
JORGENSEN, WL .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1984, 106 (10) :3049-3050
[6]  
CHANDRASEKHAR J, UNPUB J AM CHEM SOC
[7]   THE INTERIONIC POTENTIAL OF MEAN FORCE IN A MOLECULAR POLAR-SOLVENT FROM AN EXTENDED RISM EQUATION [J].
HIRATA, F ;
ROSSKY, PJ ;
PETTITT, BM .
JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (06) :4133-4144
[8]  
INGOLD CK, 1969, STRUCTURE MECHANISM
[9]  
JOHNSON E, 1979, J CHEM PHYS, V70, P1599, DOI 10.1063/1.437699