Search results
- 1.0488628 - ÚCHP 2019 RIV GB eng J - Journal Article
Svoboda, Martin - Lísal, Martin - Limpouchová, Z. - Procházka, Karel
Effect of Preferential Solvation of Polymer Chains on Vapor-Pressure Osmometry Results. Computer Simulation Study.
International Journal of Polymer Analysis and Characterization. Roč. 23, č. 3 (2018), s. 244-251. ISSN 1023-666X. E-ISSN 1563-5341
R&D Projects: GA ČR GA15-19542S
Institutional support: RVO:67985858
Keywords : vapor-pressure osmometry * simulation * solvatation
OECD category: Physical chemistry
Impact factor: 1.426, year: 2018
Permanent Link: http://hdl.handle.net/11104/0283478File Download Size Commentary Version Access 0488628.pdf 1 1.3 MB Author’s postprint open-access - 2.0484254 - ÚCHP 2018 RIV GB eng J - Journal Article
Škvára, J. - Škvor, J. - Nezbeda, Ivo
Evaluation of the Contact Angle from Molecular Simulations.
Molecular Simulation. Roč. 44, č. 3 (2018), s. 190-199. ISSN 0892-7022. E-ISSN 1029-0435
R&D Projects: GA ČR GA15-19542S
Institutional support: RVO:67985858
Keywords : contact angle * argon droplet * surface molecules
OECD category: Physical chemistry
Impact factor: 1.782, year: 2018
Permanent Link: http://hdl.handle.net/11104/0279386 - 3.0484240 - ÚCHP 2018 RIV US eng J - Journal Article
Suchá, L. - Limpouchová, Z. - Procházka, Karel
Conformational Behavior of Polymer Chains of Different Architectures in Strongly Endothermic Solvent Mixtures: Specific Solvation Effects.
Colloid and Polymer Science. Roč. 295, č. 8 (2017), s. 1391-1403. ISSN 0303-402X. E-ISSN 1435-1536
R&D Projects: GA ČR GA15-19542S
Institutional support: RVO:67985858
Keywords : cononsolvency * preferential solvation * star polymer
OECD category: Physical chemistry
Impact factor: 1.967, year: 2017
Permanent Link: http://hdl.handle.net/11104/0279375File Download Size Commentary Version Access 0484240.pdf 0 5.2 MB Author’s postprint open-access - 4.0480914 - ÚCHP 2018 RIV US eng J - Journal Article
Škvor, J. - Škvára, J. - Jirsák, Jan - Nezbeda, Ivo
A General Method for Determining Molecular Interfaces and Layers.
Journal of Molecular Graphics & Modelling. Roč. 76, SEP 2017 (2017), s. 17-35. ISSN 1093-3263. E-ISSN 1873-4243
R&D Projects: GA ČR GA15-19542S
Institutional support: RVO:67985858
Keywords : interface * molecular layers * percolating cluster
OECD category: Physical chemistry
Impact factor: 1.885, year: 2017
Permanent Link: http://hdl.handle.net/11104/0276573File Download Size Commentary Version Access 0480914.pdf 1 7.4 MB Author’s postprint open-access - 5.0480911 - ÚCHP 2018 RIV GB eng J - Journal Article
Rouha, M. - Nezbeda, Ivo
Second Virial Coefficients: A Route to Combining Rules?
Molecular Physics. Roč. 115, 9-12 (2017), s. 1191-1199. ISSN 0026-8976. E-ISSN 1362-3028
R&D Projects: GA ČR GA15-19542S
Institutional support: RVO:67985858
Keywords : combining rules * corresponding-state scaling * Lorentz–Berthelot rule
OECD category: Physical chemistry
Impact factor: 1.704, year: 2017
Permanent Link: http://hdl.handle.net/11104/0276569File Download Size Commentary Version Access 0480911.pdf 1 820 KB Author’s postprint open-access - 6.0480402 - ÚCHP 2018 RIV US eng J - Journal Article
Smith, W.R. - Jirsák, Jan - Nezbeda, Ivo - Qi, W.
Properties of Fluids Modelled by Force Fields with Intramolecular Contributions: Application to Heat Capacities.
Journal of Chemical Physics. Roč. 147, č. 3 (2017), č. článku 034508. ISSN 0021-9606. E-ISSN 1089-7690
R&D Projects: GA ČR GA15-19542S
Grant - others:NSERC(CA) STPGP479466-15
Institutional support: RVO:67985858
Keywords : thermodynamic derivative properties * linear contraint solver * monte-carlo simulation
OECD category: Physical chemistry
Impact factor: 2.843, year: 2017
Permanent Link: http://hdl.handle.net/11104/0276184File Download Size Commentary Version Access The Journal of Chemical Physics Volume 147 issue 3 2017 [doi 10.1063_1.4993572] Smith, William R.; Jirsák, Jan; Nezbeda, Ivo; Qi, Weikai -- Molecular simulation of ca.pdf 0 700.7 KB Publisher’s postprint open-access - 7.0479630 - ÚCHP 2018 RIV NL eng J - Journal Article
Pavlíček, Jan - Bogdanić, Grozdana - Wichterle, Ivan
An Improved Apparatus for Vapour-Liquid Equilibria Measurement in Polymer + Solvent Systems at Higher Temperatures: a Study of the Water + Poly(ethylene glycol) System.
Fluid Phase Equilibria. Roč. 454, 25 DEC (2017), s. 111-115. ISSN 0378-3812. E-ISSN 1879-0224
R&D Projects: GA ČR GA15-19542S
Institutional support: RVO:67985858
Keywords : correlation * experimental data * polymer-solvent system
OECD category: Physical chemistry
Impact factor: 2.197, year: 2017
Permanent Link: http://hdl.handle.net/11104/0275604File Download Size Commentary Version Access 0479630.pdf 1 387.6 KB Author’s postprint open-access - 8.0474283 - ÚCHP 2018 RIV DE eng J - Journal Article
Pavlíček, Jan - Bogdanić, Grozdana - Wichterle, Ivan
Simple Apparatus for the Measurement of Total Pressure of Polymer + Solvent Mixtures.
Chemical Engineering & Technology. Roč. 40, č. 5 (2017), s. 991-996. ISSN 0930-7516. E-ISSN 1521-4125.
[International Congress of Chemical and Process Engineering CHISA 2016 /22./and the 19th Conference PRES 2016. Prague, 27.08.2016-31.08.2016]
R&D Projects: GA ČR GA15-19542S
Institutional support: RVO:67985858
Keywords : vapor-liquid equilibrium * polymer-solvent systems * static cells
OECD category: Physical chemistry
Impact factor: 1.588, year: 2017
Permanent Link: http://hdl.handle.net/11104/0271626 - 9.0467750 - ÚCHP 2017 RIV GB eng J - Journal Article
Procházka, K. - Šindelka, K. - Wang, X. - Limpouchová, Z. - Lísal, Martin
Self-assembly and Co-assembly of Block Polyelectrolytes in Aqueous Solutions. Dissipative Particle Dynamics with Explicit Electrostatics.
Molecular Physics. Roč. 114, č. 21 (2016), s. 3077-3092. ISSN 0026-8976. E-ISSN 1362-3028
R&D Projects: GA ČR(CZ) GA13-02938S; GA ČR GA15-19542S
Institutional support: RVO:67985858
Keywords : coarse graining * dissipative and random forces * smeared charges
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 1.870, year: 2016
Permanent Link: http://hdl.handle.net/11104/0266731 - 10.0466027 - ÚCHP 2017 RIV GB eng J - Journal Article
Nezbeda, Ivo - Moučka, F. - Smith, W.R.
Recent Progress in Molecular Simulation of Aqueous Electrolytes: Force Fields, Chemical Potentials and Solubility.
Molecular Physics. Roč. 114, č. 11 (2016), s. 1665-1690. ISSN 0026-8976. E-ISSN 1362-3028
R&D Projects: GA ČR GA15-19542S
Grant - others:NSERC(CA) OGP1041
Institutional support: RVO:67985858
Keywords : force fields * chemical potentials * aqueous electrolytes
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 1.870, year: 2016
Permanent Link: http://hdl.handle.net/11104/0264477