- DownloadedBy:[UniversityofGuelph]At:20:1613August2007 Molecular Simulation, 1996,Vol. 18, pp. 75-99
- A molecular simulation approach to the prediction of the morphology of self-assembled nanoparticles in diblock copolymers
- Thermal Properties of Supercritical Carbon Dioxide by Monte Carlo Simulations
- MOLECULAR PHYSICS, 1997, VOL. 92, NO. 5, 813 824 The exp-6 potential uid at very high pressures: computer
- DOI: 10.1021/la903200j 3695Langmuir 2010, 26(5), 36953709 Published on Web 10/19/2009 pubs.acs.org/Langmuir
- The reaction ensemble method for the computer simulation of chemical and phase equilibria. II. The Br2 Cl2 BrCl system
- Self-Assembly of Symmetric Diblock Copolymers in Planar Slits with and without Nanopatterns
- 0195-928X/04/0100-0159/0 2004 Plenum Publishing Corporation International Journal of Thermophysics, Vol. 25, No. 1, January 2004 ( 2004)
- International Journal of Thermophysics, Vol. 20, No. 1, 1999 Vapor-Liquid Equilibria of Alternative Refrigerants
- THERMODYNAMICS Molecular Simulation of Multicomponent Reaction
- International Journal of Thermophysics, Vol. 17, No. 6, 1996 Calculation of Second Virial Coefficients and Gaseous
- 1 2 3 4 5 6 7 8 9 10 11 12 13 14 1 2 3 4 5 6 7 8 9 10 11 12 13 14
- Formation of Spherical Micelles in a supercritical Solvent: Lattice Monte Carlo Simulation and Multicomponent
- Computer simulation of the thermodynamic properties of high-temperature chemically-reacting plasmas
- MOLECULAR PHYSICS, 2000, VOL. 98, NO. 24, 2033-2043 An integral equation and Monte Carlo study of homo-and hetero-
- Reaction ensemble molecular dynamics: Direct simulation of the dynamic equilibrium properties of chemically reacting mixtures
- MOLECULAR PHYSICS, 2001, VOL. 99, NO. 4, 291300 E ect of short and long range forces on the thermodynamic
- Alignment of Lamellar Diblock Copolymer Phases under Shear: Insight from Dissipative Particle Dynamics Simulations
- Molecular Simulation of Reaction and Adsorption in Nanochemical Devices
- This article appeared in a journal published by Elsevier. The attached copy is furnished to the author for internal non-commercial research
- Fluid Phase Equilibria 259 (2007) 195200 Molecular-level computer simulation of a
- Z .Fluid Phase Equilibria 161 1999 241256 Vaporliquid equilibrium, fluid state, and zero-pressure solid
- DownloadedBy:[CanadianResearchKnowledgeNetwork]At:12:013January2008 Molecular Simulation, 2000, Vol. 23, pp. 363-388
- Fluid Phase Equilibria 222223 (2004) 213220 Vaporliquid equilibria of alternative refrigerants and their
- Fluid Phase Equilibria 235 (2005) 5057 Monte Carlo adiabatic simulation of equilibrium reacting systems
- Dual control cell reaction ensemble molecular dynamics: A method for simulations of reactions and adsorption
- Accurate Computer Simulation of Phase Equilibrium for Complex Fluid Mixtures. Application to Binaries Involving Isobutene, Methanol, Methyl tert-Butyl Ether, and
- Fluid Phase Equilibria 194197 (2002) 233247 Micellar behavior in supercritical solventsurfactant systems
- MOLECULAR PHYSICS, 2001, VOL. 99, NO. 20, 1751 1764 EOEect of short-and long-range forces on the properties of uids. III.
- Fluid Phase Equilibria 202 (2002) 253262 Accurate CO2 JouleThomson inversion curve
- Replica Exchange for Reactive Monte Carlo Simulations C. Heath Turner*
- This article appeared in a journal published by Elsevier. The attached copy is furnished to the author for internal non-commercial research
- DownloadedBy:[CanadianResearchKnowledgeNetwork]At:20:1813August2007 Molecular Simulation, 1997, Vol. 19, pp.43-61
- Mo l e c u l a r Ph y s i c s , 1996, Vo l . 87, No . 1, 167 187 Molecular dynamics simulations of uorinated ethanes
- DownloadedBy:[UniversityofGuelph]At:20:1413August2007 Molecular Simulation, 1996, Vol. 17, pp.21-39
- MOLECULAR PHYSICS, 1999, VOL. 96, NO. 3, 335 347 Pure uids of homonuclear and heteronuclear square-well diatomics
- Z .Fluid Phase Equilibria 154 1999 4954 Fluidsolid boundary of the compressed EXP-6 fluids
- Fluid Phase Equilibria 181 (2001) 127146 Accurate vapourliquid equilibrium calculations for complex
- MOLECULAR PHYSICS, 2002, VOL. 100, NO. 15, 24872497 REMC computer simulations of the thermodynamic properties of
- Direct Monte Carlo simulation methods for nonreacting and reacting systems at fixed total internal energy or enthalpy
- An examination of the five-site potential ,,TIP5P... for water Martin Lisal
- Conformations of attractive, repulsive, and amphiphilic polymer chains in a simple supercritical solvent: Molecular simulation study
- Direct molecular-level Monte Carlo simulation of JouleThomson processes
- Vapor-Liquid Equilibria in Five-Site (TIP5P) Models of Water Martin Lisal,, Ivo Nezbeda,*,, and William R. Smith
- Fluid Phase Equilibria 222223 (2004) 247254 Conformations of homopolymer chains and their phase
- Chemical reaction equilibrium in nanoporous materials: NO dimerization reaction in carbon slit nanopores
- Low-Temperature Vapor-Liquid Equilibria from Parallelized Molecular Dynamics Simulations. Application to 1-and 2-Methylnaphthalene
- Molecular-level Monte Carlo simulation at fixed entropy William R. Smith a,*, Martin Lisal b,c
- Mesoscale simulation of polymer reaction equilibrium: Combining dissipative particle dynamics with reaction ensemble Monte Carlo.
- Simulating Polymorphic Phase Behavior Using Reaction Ensemble Monte Carlo John K. Brennan,*, Betsy M. Rice, and Martin Lisal,
- Mesoscale simulation of polymer reaction equilibrium: Combining dissipative particle dynamics with reaction
- Density functional study of chemical reaction equilibrium for dimerization reactions in slit and cylindrical nanopores
- This article appeared in a journal published by Elsevier. The attached copy is furnished to the author for internal non-commercial research
- A MOLECULAR SIMULATION STUDY OF ADSORPTION OF NITROGEN AND METHANE IN TITANIUM SILICATE (ETS-4)
- DownloadedBy:[CanadianResearchKnowledgeNetwork]At:10:3327May2008 Simulation of chemical reaction equilibria by the reaction ensemble Monte Carlo method
- Fluid Phase Equilibria 226 (2004) 161172 Analysis of Henry's constant for carbon dioxide in water
- Self-assembly of surfactants in a supercritical solvent from lattice Monte Carlo simulations
- Molecular Simulations of Aqueous Electrolyte Solubility: 1. The Expanded-Ensemble Osmotic Molecular Dynamics Method for the Solution Phase
- Published: May 31, 2011 r 2011 American Chemical Society 7849 dx.doi.org/10.1021/jp202054d |J. Phys. Chem. B 2011, 115, 78497861
- Liquid water Supplementary material to paper by J. Kolafa and M. Lisal
- Supplementary material to paper by J. Kolafa and M. Lisal: Time-reversible velocity predictor for Verlet integration with velocity-dependent right-hand side
- Liquid argon Supplementary material to paper by J. Kolafa and M. Lisal
- Published: August 31, 2011 r 2011 American Chemical Society 3596 dx.doi.org/10.1021/ct200108g |J. Chem. Theory Comput. 2011, 7, 35963607
- SUPPLEMENTARY MATERIAL A. Outlines of the Shardlow-Like Splitting Algorithms
- THE JOURNAL OF CHEMICAL PHYSICS 135, 204105 (2011) Dissipative particle dynamics at isothermal, isobaric, isoenergetic,
