Search results
- 1.0388530 - ÚCHP 2013 RIV GB eng J - Journal Article
Pařez, Stanislav - Předota, M.
Determination of the distance-dependent viscosity of mixtures in parallel slabs using non-equilibrium molecular dynamics.
Physical Chemistry Chemical Physics. Roč. 14, č. 10 (2012), s. 3640-3650. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA ČR GA203/08/0094
Institutional support: RVO:67985858
Keywords : interface * viscosity * molecular simulatiion
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.829, year: 2012
Permanent Link: http://hdl.handle.net/11104/0217435File Download Size Commentary Version Access 0388530.pdf 0 9.1 MB Author’s postprint open-access - 2.0379074 - ÚOCHB 2013 RIV GB eng J - Journal Article
Kabeláč, Martin - Kroutil, O. - Předota, M. - Lankaš, Filip - Šíp, M.
Influence of a charged graphene surface on the orientation and conformation of covalently attached oligonucleotides: a molecular dynamics study.
Physical Chemistry Chemical Physics. Roč. 14, č. 12 (2012), s. 4217-4229. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA ČR GC204/09/J010; GA MŠMT LC512; GA AV ČR IAA400550808
Grant - others:GA ČR(CZ) GA203/08/0094; GA MŠk(CZ) LM2010005
Program: GA
Institutional research plan: CEZ:AV0Z40550506
Keywords : DNA * graphene * charge density * molecular dynamics * Amber
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.829, year: 2012
Permanent Link: http://hdl.handle.net/11104/0210352 - 3.0376870 - ÚCHP 2013 RIV US eng J - Journal Article
Moučka, F. - Lísal, Martin - Smith, W. R.
Molecular Simulation of Aqueous Electrolyte Solubility. 3. Alkali-halide Salts and Their Mixtures in Water and in Hydrochloric Acid.
Journal of Physical Chemistry B. Roč. 116, č. 18 (2012), s. 5468-5478. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA ČR GA203/08/0094; GA MŠMT LH12020
Grant - others:NSERC(CA) OGP1041; EC(XE) COST TD0802
Institutional research plan: CEZ:AV0Z40720504
Keywords : molecular simulations * electrolyte hydrates * oemc simulations
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.607, year: 2012
Permanent Link: http://hdl.handle.net/11104/0006974 - 4.0376076 - ÚCHP 2013 RIV GB eng J - Journal Article
Lísal, Martin - Posel, Z. - Izák, Pavel
Air-Liquid Interface of Imidazolium-Based [Tf2N-] Ionic Liquids: Insight from Molecular Dynamics Simulations.
Physical Chemistry Chemical Physics. Roč. 14, č. 15 (2012), s. 5164-5177. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA ČR GA203/08/0094; GA AV ČR KAN400720701; GA MŠMT LH12020; GA ČR GAP106/10/1194
Institutional research plan: CEZ:AV0Z40720504
Keywords : molecular dynamics simulation * ionic liquids * air-liquid interface
Subject RIV: CI - Industrial Chemistry, Chemical Engineering
Impact factor: 3.829, year: 2012
Permanent Link: http://hdl.handle.net/11104/0208575 - 5.0368353 - ÚCHP 2012 RIV US eng J - Journal Article
Lísal, Martin - Brennan, J.K. - Bonet Avalos, J.
Dissipative Particle Dynamics at Isothermal, Isobaric, Isoenergetic, and Isoenthalpic Conditions Using Shardlow-like Splitting Algorithms.
Journal of Chemical Physics. Roč. 135, č. 20 (2011), s. 204105. ISSN 0021-9606. E-ISSN 1089-7690
R&D Projects: GA ČR GA203/08/0094; GA AV ČR KAN400720701
Grant - others:ARL(US) W911NF-10-2-0039; MECSG(ES) CTQ2008-06469; GA UJEP(CZ) 53222 15 0005 01
Institutional research plan: CEZ:AV0Z40720504
Keywords : dissipative particle dynamics * Shardlow-splitting algorithm * coarse-grain model
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.333, year: 2011
Permanent Link: http://hdl.handle.net/11104/0202723 - 6.0360756 - ÚCHP 2012 RIV US eng J - Journal Article
Moučka, F. - Lísal, Martin - Škvor, J. - Jirsák, Jan - Nezbeda, Ivo - Smith, W.R.
Molecular Simulation of Aqueous Electrolyte Solubility. 2. Osmotic Ensemble Monte Carlo Methodology for Free Energy and Solubility Calculations and Application to NaCl.
Journal of Physical Chemistry B. Roč. 115, č. 24 (2011), s. 7849-7861. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA ČR GA203/08/0094; GA AV ČR KAN400720701
Grant - others:COST(XE) TD0802; NSERC(CA) OGP1041
Institutional research plan: CEZ:AV0Z40720504
Keywords : new methodology monte carlo * concentration curves * aqueous electrolytes
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.696, year: 2011
Permanent Link: http://hdl.handle.net/11104/0006497 - 7.0357972 - ÚCHP 2012 RIV NL eng J - Journal Article
Patterson, K. - Lísal, Martin - Colina, C.M.
Adsorption Behavior of Model Proteins on Surfaces.
Fluid Phase Equilibria. Roč. 302, 1-2 (2011), s. 48-54. ISSN 0378-3812. E-ISSN 1879-0224
R&D Projects: GA ČR GA203/08/0094; GA AV ČR KAN400720701
Grant - others:COST(XE) TD0802/OC10053
Institutional research plan: CEZ:AV0Z40720504
Keywords : molecular simulations * dpd * coarse-grain
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.139, year: 2011
Permanent Link: http://hdl.handle.net/11104/0196131 - 8.0352969 - ÚCHP 2011 RIV GB eng J - Journal Article
Posocco, P. - Posel, Z. - Fermeglia, M. - Lísal, Martin - Pricl, S.
A Molecular Simulation Approach to the Prediction of the Morphology of Self-Assembled Nanoparticles in Diblock Copolymers.
Journal of Materials Chemistry. Roč. 20, č. 46 (2010), s. 10511-10520. ISSN 0959-9428
R&D Projects: GA ČR GA203/08/0094; GA AV ČR KAN400720701
Grant - others:EC(XE) TD0802/OC10053
Institutional research plan: CEZ:AV0Z40720504
Keywords : diblock copolymers * nanoparticles * computer simulation
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 5.101, year: 2010
Permanent Link: http://hdl.handle.net/11104/0006214 - 9.0352917 - ÚCHP 2011 RIV CZ eng J - Journal Article
Předota, Milan - Nezbeda, Ivo - Pařez, Stanislav
Coarse-Grained Potential for Interaction with a Spherical Colloidal Particle and Planar Wall.
Collection of Czechoslovak Chemical Communications. Roč. 75, č. 5 (2010), s. 527-545. ISSN 0010-0765
R&D Projects: GA ČR GA203/08/0094; GA AV ČR IAA400720802
Institutional research plan: CEZ:AV0Z40720504
Keywords : spherical colloidal particles * surface interaction * molecular simulations
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 0.853, year: 2010
Permanent Link: http://hdl.handle.net/11104/0192304 - 10.0348298 - ÚCHP 2011 RIV US eng J - Journal Article
Petrus, P. - Lísal, Martin - Brennan, J.K.
Self-Assembly of Lamellar- and Cylinder-Forming Diblock Copolymers in Planar Slits: Insight from Dissipative Particle Dynamics Simulations.
Langmuir. Roč. 26, č. 18 (2010), s. 14680-14693. ISSN 0743-7463
R&D Projects: GA ČR GA203/08/0094; GA AV ČR KAN400720701
Grant - others:COST(XE) TD0802/OC10053; ARL(US) W911NF-10-2-0039
Institutional research plan: CEZ:AV0Z40720504
Keywords : diblock copolymer * particle dynamics simulation * nanostructure formation
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 4.269, year: 2010
Permanent Link: http://hdl.handle.net/11104/0006043