MONTE-CARLO FREE-ENERGY CALCULATIONS ON DILUTE-SOLUTIONS IN ISOTHERMAL-ISOBARIC ENSEMBLE

被引：20

作者：

OWICKI, JC ^{[1
]}

SCHERAGA, HA ^{[1
]}

机构：

[1] CORNELL UNIV,DEPT CHEM,ITHACA,NY 14853

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1978年 / 82卷 / 11期

关键词：

D O I：

10.1021/j100500a013

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：1257 / 1264

页数：8

共 50 条

[41] FREE-ENERGY OF SOLIDS AND DENSE LIQUIDS BY THE MONTE-CARLO PERTURBATION METHOD
MON, KK
[J]. PHYSICAL REVIEW A, 1985, 31 (04): : 2725 - 2727
[42] Nucleation free-energy barriers with Hybrid Monte-Carlo/Umbrella Sampling
Gonzalez, M. A.
Sanz, E.
McBride, C.
Abascal, J. L. F.
Vega, C.
Valeriani, C.
[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2014, 16 (45) : 24913 - 24919
[43] Monte Carlo calculations of the free-energy landscape of vesicle formation and growth
Zhao, SJ
Kindt, JT
[J]. EUROPHYSICS LETTERS, 2005, 69 (05): : 839 - 845
[44] Temperature-and-density-scaling Monte Carlo: isothermal-isobaric thermodynamics of Lennard-Jonesium
Valleau, JP
[J]. MOLECULAR SIMULATION, 2005, 31 (04) : 255 - 275
[45] ISOBARIC VERSUS CANONICAL ENSEMBLE FORMALISM FOR MONTE-CARLO STUDIES OF LIQUIDS
KING, HF
[J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (05): : 1837 - &
[46] MONTE-CARLO CALCULATIONS ON THE BETA-DELTA PHASE-TRANSITION IN NITROGEN WITH A GENERALIZED FREE-ENERGY METHOD
MULDER, A
MICHELS, JPJ
SCHOUTEN, JA
KUCHTA, B
ETTERS, RD
[J]. INTERNATIONAL JOURNAL OF THERMOPHYSICS, 1995, 16 (04) : 957 - 963
[47] ISOBARIC ENSEMBLE MONTE-CARLO SIMULATION OF ADSORPTION AT FLUID SOLID INTERFACES
FINN, JE
MONSON, PA
[J]. LANGMUIR, 1989, 5 (03) : 639 - 644
[48] Information theory approach to the isothermal-isobaric ensemble. 1. Monte Carlo simulations with the hard-sphere and square potentials
Jalbout, AF
[J]. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2002, 594 (03): : 157 - 159
[49] FREE-ENERGY CALCULATIONS FOR LENNARD-JONES SYSTEMS AND WATER USING THE EXPANDED ENSEMBLE METHOD - A MONTE-CARLO AND MOLECULAR-DYNAMICS SIMULATION STUDY
LYUBARTSEV, AP
LAAKSONEN, A
VORONTSOVVELYAMINOV, PN
[J]. MOLECULAR PHYSICS, 1994, 82 (03) : 455 - 471
[50] EXCESS FREE-ENERGY OF DIFFERENT WATER MODELS COMPUTED BY MONTE-CARLO METHODS
MEZEI, M
[J]. MOLECULAR PHYSICS, 1982, 47 (06) : 1307 - 1315

← 1 2 3 4 5 →