Search results
- 1.0340733 - ÚCHP 2010 RIV US eng J - Journal Article
Předota, Milan - Bandura, A.V. - Cummings, P.T. - Kubicki, J.D. - Wesolowski, D.J. - Chialvo, A.A. - Machesky, M.L.
Electric Double Layer at the Rutile (110) Surface. 1. Structure of Surfaces and Interfacial Water from Molecular Dynamics by Use of ab Initio Potentials.
Journal of Physical Chemistry B. Roč. 108, č. 32 (2004), s. 12049-12060. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA ČR GP203/03/P083; GA ČR GA203/02/0805
Grant - others:OBES(US) ERKCC41
Institutional research plan: CEZ:AV0Z4072921
Keywords : surface * dynamics * rutile
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.834, year: 2004
Permanent Link: http://hdl.handle.net/11104/0005778 - 2.0340730 - ÚCHP 2010 RIV US eng J - Journal Article
Předota, Milan - Zhang, Z. - Fenter, P. - Wesolowski, D.J. - Cummings, P.T.
Electric Double Layer at the Rutile (110) Surface. 2. Adsorption of Ions from Molecular Dynamics and X-ray Experiments.
Journal of Physical Chemistry B. Roč. 108, č. 32 (2004), s. 12061-12072. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA ČR GP203/03/P083; GA ČR GA203/02/0805
Institutional research plan: CEZ:AV0Z4072921
Keywords : ion * adsorption * rutile
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.834, year: 2004
Permanent Link: http://hdl.handle.net/11104/0005777 - 3.0166844 - UCHP-M 20030161 RIV GB eng J - Journal Article
Colina, C. M. - Olivera-Fuentes, C. G. - Siperstein, F. R. - Lísal, Martin - Gubbins, K. E.
Thermal Properties of Supercritical Carbon Dioxide by Monte Carlo Simulations.
Molecular Simulation. Roč. 29, 6-7 (2003), s. 405-412. ISSN 0892-7022. E-ISSN 1029-0435
R&D Projects: GA ČR GA203/02/0805
Grant - others:NSF(US) CHE-9876674291
Institutional research plan: CEZ:AV0Z4072921
Keywords : fluctuations * carbon dioxide * 2CLJQ
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 0.721, year: 2003
Permanent Link: http://hdl.handle.net/11104/0063953 - 4.0166842 - UCHP-M 20030159 RIV US eng J - Journal Article
Lísal, Martin - Nezbeda, Ivo
Conformations of Attractive, Repulsive, and Amphiphilic Polymer Chains in a Simple Supercritical Solvent: Molecular Simulation Study.
Journal of Chemical Physics. Roč. 119, č. 7 (2003), s. 4026-4034. ISSN 0021-9606. E-ISSN 1089-7690
R&D Projects: GA ČR GA203/01/0464; GA ČR GA203/02/0805; GA AV ČR IAA4072309
Institutional research plan: CEZ:AV0Z4072921
Keywords : polymer * supercritical * molecular simulation
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.950, year: 2003
Permanent Link: http://hdl.handle.net/11104/0063951 - 5.0166687 - UCHP-M 20030004 RIV GB eng J - Journal Article
Lísal, Martin - Hall, C. K. - Gubbins, K. E. - Panagiotopoulos, A. Z.
Formation of Spherical Micelles in a Supercritical Solvent: Lattice Monte Carlo Simulation and Multicomponent Solution Model.
Molecular Simulation. Roč. 29, č. 2 (2003), s. 139-157. ISSN 0892-7022. E-ISSN 1029-0435
R&D Projects: GA ČR GA203/00/0600; GA ČR GA203/02/0805
Grant - others:STC(US) CHE/9876674
Institutional research plan: CEZ:AV0Z4072921
Keywords : simulation * micelle * supercritical
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 0.721, year: 2003
Permanent Link: http://hdl.handle.net/11104/0063801 - 6.0166556 - UCHP-M 20020247 RIV US eng J - Journal Article
Lísal, Martin - Kolafa, Jiří - Nezbeda, Ivo
An Examination of the Five-Site Potential (TIP5P) for Water.
Journal of Chemical Physics. Roč. 117, č. 9 (2002), s. 8892-8897. ISSN 0021-9606. E-ISSN 1089-7690
R&D Projects: GA ČR GA203/02/0805; GA AV ČR IAA4072908
Keywords : thermodynamics * water * modelling
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.998, year: 2002
Permanent Link: http://hdl.handle.net/11104/0063675 - 7.0166550 - UCHP-M 20020239 RIV US eng J - Journal Article
Smith, W. - Lísal, Martin
Direct Monte Carlo Simulation Methods for Nonreacting and Reacting Systems at Fixed Total Internal Energy or Enthalpy.
Physical Review. E. Roč. 66, č. 1 (2002), s. 011104-1 - 011104-1. ISSN 1063-651X
R&D Projects: GA ČR GA203/02/0805
Grant - others:NSERC(CA) OGP1041
Keywords : MC * simulation * reaction
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.397, year: 2002
Permanent Link: http://hdl.handle.net/11104/0063669 - 8.0166546 - UCHP-M 20020235 RIV GB eng J - Journal Article
Lísal, Martin - Smith, W. R. - Bureš, M. - Vacek, V. - Navrátil, J.
REMC Computer Simulation of the Thermodynamic Properties of Argon and Air Plasmas.
Molecular Physics. Roč. 100, č. 15 (2002), s. 2487-2497. ISSN 0026-8976. E-ISSN 1362-3028
R&D Projects: GA ČR GA203/98/1446; GA ČR GA203/02/0805
Grant - others:NSERC(CA) OGP1041
Keywords : computer simulation * plasma * thermodynamic properties
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 1.617, year: 2002
Permanent Link: http://hdl.handle.net/11104/0063666 - 9.0166544 - UCHP-M 20020233 RIV NL eng J - Journal Article
Lísal, Martin - Hall, C. K. - Gubbins, K. E. - Panagiotopoulos, A. Z.
Micellar Behavior in Supercritical Solvent-Surfactant Systems from Lattice Monte Carlo Simulations.
Fluid Phase Equilibria. 194-197, - (2002), s. 233-247. ISSN 0378-3812. E-ISSN 1879-0224
R&D Projects: GA ČR GA203/00/0600; GA ČR GA203/02/0805
Grant - others:STC(US) CHE-9876674
Keywords : Monte Carlo * simulation * surfactant
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 1.011, year: 2002
Permanent Link: http://hdl.handle.net/11104/0063665 - 10.0166444 - UCHP-M 20020130 RIV NL eng J - Journal Article
Colina, C. M. - Lísal, Martin - Siperstein, F. R. - Gubbins, K. E.
Accurate CO2 JouleůThomson Inversion Curve by Molecular Simulations.
Fluid Phase Equilibria. Roč. 202, č. 2 (2002), s. 253-262. ISSN 0378-3812. E-ISSN 1879-0224
R&D Projects: GA ČR GA203/02/0805
Grant - others:NSF(US) CHE 9876674
Keywords : carbon dioxide * Joule-Thomson inversion curve * molecular simulation
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 1.011, year: 2002
Permanent Link: http://hdl.handle.net/11104/0063568