Search results
- 1.0583500 - ÚCHP 2025 RIV US eng J - Journal Article
Rezlerová, Eliška - Moučka, Filip - Předota, M. - Lísal, Martin
Structure and self-diffusivity of mixed-cation electrolytes between neutral and charged graphene sheets.
Journal of Chemical Physics. Roč. 160, č. 9 (2024), č. článku 094701. ISSN 0021-9606. E-ISSN 1089-7690
R&D Projects: GA ČR(CZ) GA21-27338S
Institutional support: RVO:67985858
OECD category: Physical chemistry
Impact factor: 4.4, year: 2022
Method of publishing: Open access with time embargo
Permanent Link: https://hdl.handle.net/11104/0351469File Download Size Commentary Version Access 0583500.pdf 0 12.9 MB Author’s postprint require - 2.0574327 - ÚCHP 2024 RIV GB eng J - Journal Article
Rezlerová, Eliška - Moučka, Filip - Předota, M. - Lísal, Martin
Structure and self-diffusivity of alkali-halide electrolytes in neutral and charged graphene nanochannels.
Physical Chemistry Chemical Physics. Roč. 25, č. 32 (2023), s. 21579-21594. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA ČR(CZ) GA21-27338S
Institutional support: RVO:67985858
Keywords : electric-double layer * rutile 110 surface * molecular-dynamics
OECD category: Physical chemistry
Impact factor: 3.3, year: 2022
Method of publishing: Limited access
Permanent Link: https://hdl.handle.net/11104/0344668File Download Size Commentary Version Access pccp_25_21579-21594_2023.pdf 1 4.4 MB Publisher’s postprint require - 3.0574257 - ÚOCHB 2024 RIV GB eng J - Journal Article
Chu, B. - Biriukov, Denys - Bischoff, M. - Předota, M. - Roke, S. - Marchioro, A.
Evolution of the electrical double layer with electrolyte concentration probed by second harmonic scattering.
Faraday Discussions. Roč. 246, October (2023), s. 407-425. ISSN 1359-6640. E-ISSN 1364-5498
Institutional support: RVO:61388963
Keywords : surface charge density * colloidal silica * water molecules
OECD category: Physical chemistry
Impact factor: 3.4, year: 2022
Method of publishing: Open access
https://doi.org/10.1039/D3FD00036B
Permanent Link: https://hdl.handle.net/11104/0344596 - 4.0557831 - ÚOCHB 2023 RIV US eng J - Journal Article
Biriukov, Denys - Wang, H.-W. - Rampal, N. - Tempra, Carmelo - Kula, Patrik - Neuefeind, J. C. - Stack, A. G. - Předota, M.
The “good,“ the “bad,“ and the “hidden“ in neutron scattering and molecular dynamics of ionic aqueous solutions.
Journal of Chemical Physics. Roč. 156, č. 19 (2022), č. článku 194505. ISSN 0021-9606. E-ISSN 1089-7690
Institutional support: RVO:61388963
Keywords : solvation structure * free energy * simulations
OECD category: Physical chemistry
Impact factor: 4.4, year: 2022
Method of publishing: Limited access
https://doi.org/10.1063/5.0093643
Permanent Link: http://hdl.handle.net/11104/0331710 - 5.0549039 - ÚOCHB 2022 RIV US eng J - Journal Article
Bischoff, M. - Biriukov, Denys - Předota, M. - Marchioro, A.
Second Harmonic Scattering Reveals Ion-Specific Effects at the SiO2 and TiO2 Nanoparticle/Aqueous Interface.
Journal of Physical Chemistry C. Roč. 125, č. 45 (2021), s. 25261-25274. ISSN 1932-7447. E-ISSN 1932-7455
Research Infrastructure: e-INFRA CZ - 90140
Institutional support: RVO:61388963
Keywords : surface-charge density * molecular dynamics simulations * quartz (101)-water interface
OECD category: Physical chemistry
Impact factor: 4.177, year: 2021
Method of publishing: Limited access
https://doi.org/10.1021/acs.jpcc.1c07191
Permanent Link: http://hdl.handle.net/11104/0325083 - 6.0545501 - ÚOCHB 2022 RIV NL eng J - Journal Article
Rampal, N. - Wang, H.-W. - Biriukov, Denys - Brady, A. B. - Neuefeind, J. C. - Předota, M. - Stack, A. G.
Local molecular environment drives speciation and reactivity of ion complexes in concentrated salt solution.
Journal of Molecular Liquids. Roč. 340, Oct 15 (2021), č. článku 116898. ISSN 0167-7322. E-ISSN 1873-3166
Institutional support: RVO:61388963
Keywords : concentrated aqueous solutions * ion complexes * neutron diffraction * rare event methods * reaction mechanisms
OECD category: Physical chemistry
Impact factor: 6.633, year: 2021
Method of publishing: Open access
https://doi.org/10.1016/j.molliq.2021.116898
Permanent Link: http://hdl.handle.net/11104/0322180 - 7.0388530 - 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 - 8.0379074 - 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 - 9.0131104 - FZU-D 960477 RIV US eng J - Journal Article
Předota, M. - Kotrla, Miroslav
Stochastic equations for simple discrete models of epitaxial growth.
Physical Review. E. Roč. 54, č. 4 (1996), s. 3933-3942. ISSN 1063-651X
R&D Projects: GA AV ČR IA1010513
Impact factor: 2.149, year: 1996
Permanent Link: http://hdl.handle.net/11104/0029191