Computer simulation studies of aqueous solutions at ambient and supercritical conditions using effective pair potential and polarizable potential models for water

Effective Pair ◽

Conformations of bombolitins I and III aqueous solutions: circular dichroism, proton NMR, and computer simulation studies

Biochemistry ◽

10.1021/bi00495a012 ◽

1990 ◽

Vol 29 (43) ◽

pp. 10097-10102 ◽

Cited By ~ 21

Author(s):

Eleni Bairaktari ◽

Dale F. Mierke ◽

Stefano Mammi ◽

Evaristo Peggion

Keyword(s):

Computer Simulation ◽

Circular Dichroism ◽

Aqueous Solutions ◽

Proton Nmr ◽

Simulation Studies ◽

Computer Simulation Studies ◽

Circular Dichroïsm

Computer simulation studies of the liquid mixtures water-dimethylsulfoxide using different effective potential models: Thermodynamic and transport properties

Journal of Molecular Liquids ◽

10.1016/s0167-7322(01)00344-0 ◽

2002 ◽

Vol 98-99 ◽

pp. 401-411 ◽

Cited By ~ 4

Author(s):

Michalis Chalaris ◽

Jannis Samios

Keyword(s):

Computer Simulation ◽

Transport Properties ◽

Effective Potential ◽

Liquid Mixtures ◽

Simulation Studies ◽

Potential Models ◽

Thermodynamic And Transport Properties ◽

Computer simulation study of liquid HF with a new effective pair potential model

Molecular Physics ◽

10.1080/002689797170536 ◽

1997 ◽

Vol 92 (2) ◽

pp. 331-336 ◽

Cited By ~ 31

Author(s):

By PAL JEDLOVSZKY ◽

RENZO VALLAURI

Keyword(s):

Computer Simulation ◽

Simulation Study ◽

Potential Model ◽

Pair Potential ◽

Computer Simulation Study ◽

Modeling DNA in Aqueous Solutions: Theoretical and Computer Simulation Studies on the Ion Atmosphere of DNA

Annual Review of Biophysics and Biomolecular Structure ◽

10.1146/annurev.bb.25.060196.002055 ◽

1996 ◽

Vol 25 (1) ◽

pp. 367-394 ◽

Cited By ~ 81

Author(s):

B Jayaram ◽

D L Beveridge

Keyword(s):

Computer Simulation ◽

Aqueous Solutions ◽

Simulation Studies ◽

Computer simulation study of liquid CH2F2 with a new effective pair potential model

The Journal of Chemical Physics ◽

10.1063/1.477894 ◽

1999 ◽

Vol 110 (6) ◽

pp. 2991-3002 ◽

Cited By ~ 21

Author(s):

Pál Jedlovszky ◽

Mihaly Mezei

Keyword(s):

Computer Simulation ◽

Simulation Study ◽

Potential Model ◽

Pair Potential ◽

Computer Simulation Study ◽

Test of effective pair potential models by molecular dynamics simulation on liquid OCS

Chemical Physics ◽

10.1016/0301-0104(92)87089-r ◽

1992 ◽

Vol 160 (1) ◽

pp. 33-39 ◽

Cited By ~ 14

Author(s):

Jannis Samios ◽

Hubert Stassen ◽

Thomas Dorfmüller

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Pair Potential ◽

Dynamics Simulation ◽

Potential Models ◽

Molecular-Dynamics Simulation of a Methane–Oxygen Mixture: Prediction ofP–V–TData and Evaluation of Effective Pair Potential Models

Bulletin of the Chemical Society of Japan ◽

10.1246/bcsj.78.2105 ◽

2005 ◽

Vol 78 (12) ◽

pp. 2105-2113 ◽

Cited By ~ 1

Author(s):

Naser Seyed Matin ◽

Amir Hossein Jalili

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Pair Potential ◽

Dynamics Simulation ◽

Oxygen Mixture ◽

Potential Models ◽

A simple effective pair potential for the molecular simulation of the thermodynamic properties of ammonia

Molecular Physics ◽

10.1080/002689799163073 ◽

1999 ◽

Vol 97 (10) ◽

pp. 1129-1137 ◽

Cited By ~ 3

Author(s):

T. Kristof, J. Vorholz, J. Liszi, B. R

Keyword(s):

Thermodynamic Properties ◽

Molecular Simulation ◽

Pair Potential ◽

GRAIN BOUNDARY STRUCTURE AND PHASE TRANSFORMATIONS : A CRITICAL REVIEW OF COMPUTER SIMULATION STUDIES AND COMPARISON WITH EXPERIMENTS

Le Journal de Physique Colloques ◽

10.1051/jphyscol:1988539 ◽

1988 ◽

Vol 49 (C5) ◽

pp. C5-327-C5-336 ◽

Cited By ~ 14

Author(s):

V. PONTIKIS

Keyword(s):

Computer Simulation ◽

Grain Boundary ◽

Phase Transformations ◽

Critical Review ◽

Boundary Structure ◽

Simulation Studies ◽

Grain Boundary Structure ◽

Structure And Phase Transformations ◽

Computer Simulation Studies ◽

Comparison With Experiments

Computer Simulation Studies in Condensed-Matter Physics VIII

10.1007/978-3-642-79991-4 ◽

1995 ◽

Keyword(s):

Computer Simulation ◽

Condensed Matter ◽

Condensed Matter Physics ◽

Simulation Studies ◽