Implicit solvation models: Equilibria, structure, spectra, and dynamics

被引：2113

作者：

Cramer, CJ

Truhlar, DG ^{[1
]}

机构：

[1] Univ Minnesota, Dept Chem, Minneapolis, MN 55455 USA

[2] Univ Minnesota, Inst Supercomp, Minneapolis, MN 55455 USA

来源：

CHEMICAL REVIEWS | 1999年 / 99卷 / 08期

关键词：

D O I：

10.1021/cr960149m

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

[No abstract available]

引用

页码：2161 / 2200

页数：40

共 930 条

[91] Solvation of complex molecules in a polar liquid: An integral equation theory [J].

Beglov, D ;

Roux, B .

JOURNAL OF CHEMICAL PHYSICS, 1996, 104 (21) :8678-8689

[92] Size dependence of solvation Gibbs energies: A critique and a rebuttal of some recent publications [J].

Ben-Naim, A ;

Mazo, R .

JOURNAL OF PHYSICAL CHEMISTRY B, 1997, 101 (51) :11221-11225

[93] NONEQUILIBRIUM FREE-ENERGY FUNCTIONS, RECOMBINATION DYNAMICS, AND VIBRATIONAL-RELAXATION OF I2- IN ACETONITRILE - MOLECULAR-DYNAMICS OF CHARGE FLOW IN THE ELECTRONICALLY ADIABATIC LIMIT [J].

BENJAMIN, I ;

BARBARA, PF ;

GERTNER, BJ ;

HYNES, JT .

JOURNAL OF PHYSICAL CHEMISTRY, 1995, 99 (19) :7557-7567

[94] SOLVATION THERMODYNAMICS OF NONIONIC SOLUTES [J].

BENNAIM, A ;

MARCUS, Y .

JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (04) :2016-2027

[95] SIZE DEPENDENCE OF THE SOLVATION FREE-ENERGIES OF LARGE SOLUTES [J].

BENNAIM, A ;

MAZO, RM .

JOURNAL OF PHYSICAL CHEMISTRY, 1993, 97 (41) :10829-10834

[96] CONTINUUM ELECTROSTATICS MODEL FOR AN S(N)2 REACTION IN SUPERCRITICAL WATER [J].

BENNETT, GE ;

ROSSKY, PJ ;

JOHNSTON, KP .

JOURNAL OF PHYSICAL CHEMISTRY, 1995, 99 (43) :16136-16143

[97] Helix-helix interactions in lipid bilayers [J].

BenTal, N ;

Honig, B .

BIOPHYSICAL JOURNAL, 1996, 71 (06) :3046-3050

[98] Binding of small basic peptides to membranes containing acidic lipids: Theoretical models and experimental results [J].

BenTal, N ;

Honig, B ;

Peitzsch, RM ;

Denisov, G ;

McLaughlin, S .

BIOPHYSICAL JOURNAL, 1996, 71 (02) :561-575

[99]

Bentzien J., 1998, ACS SYM SER, V712, P16, DOI DOI 10.1021/BK-1998-0712.CH002

[100] NONEQUILIBRIUM SOLVATION IN CHEMICAL-REACTIONS .1. EFFECTIVE EQUATIONS OF MOTION [J].

BEREZHKOVSKII, AM .

CHEMICAL PHYSICS, 1992, 164 (03) :331-339

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