Search results
- 1.0427659 - ÚOCHB 2015 RIV DE eng J - Journal Article
Habartová, Alena - Obisesan, A. - Minofar, Babak - Roeselová, Martina
Partial hydration of n-alkyl halides at the water-vapor interface: a molecular simulation study with atmospheric implications.
Theoretical Chemistry Accounts. Roč. 133, č. 3 (2014), 1455/1-1455/15. ISSN 1432-881X. E-ISSN 1432-2234
R&D Projects: GA ČR(CZ) GAP208/10/1724; GA MŠMT ME09064
Grant - others:GA ČR(CZ) GA13-08651S
Institutional support: RVO:61388963 ; RVO:67179843
Keywords : haloalkanes * adsorption * interfacial solvation * halogenated organics * interfacial partitioning * surface orientation * heterogeneous chemistry
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.233, year: 2014
Permanent Link: http://hdl.handle.net/11104/0233186 - 2.0427644 - ÚOCHB 2015 RIV GB eng J - Journal Article
Nishino, N. - Hollingsworth, S. A. - Stern, A. C. - Roeselová, Martina - Tobias, D. J. - Finlayson-Pitts, B. J.
Interactions of gaseous HNO3 and water with individual and mixed alkyl self-assembled monolayers at room temperature.
Physical Chemistry Chemical Physics. Roč. 16, č. 6 (2014), s. 2358-2367. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA MŠMT ME09064
Institutional support: RVO:61388963
Keywords : organic surface * molecular dynamics * nitric acid deprotonation
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 4.493, year: 2014
Permanent Link: http://hdl.handle.net/11104/0233165 - 3.0383386 - ÚOCHB 2013 RIV GB eng J - Journal Article
Gladich, Ivan - Roeselová, Martina
Comparison of selected polarizable and nonpolarizable water models in molecular dynamics simulations of ice I-h.
Physical Chemistry Chemical Physics. Roč. 14, č. 32 (2012), s. 11371-11385. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA ČR(CZ) GAP208/10/1724; GA MŠMT ME09064; GA ČR GBP208/12/G016
Grant - others:NSF(US) 0909227
Institutional support: RVO:61388963
Keywords : particle mesh ewald * quasi-liquid layer * melting-point * atmospheric chemistry * surface
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.829, year: 2012
Permanent Link: http://hdl.handle.net/11104/0213338 - 4.0376354 - ÚOCHB 2013 RIV NL eng J - Journal Article
Khabiri, Morteza - Roeselová, Martina - Cwiklik, Lukasz
Properties of oxidized phospholipid monolayers: An atomistic molecular dynamics study.
Chemical Physics Letters. 519-520, 5 Jan (2012), s. 93-99. ISSN 0009-2614. E-ISSN 1873-4448
R&D Projects: GA MŠMT ME09064; GA MŠMT LC512
Grant - others:ESF EUROMEMBRANE(XE) MEM/09/E006
Institutional research plan: CEZ:AV0Z40550506; CEZ:AV0Z40400503
Keywords : dioleoylphosphatidylcholine (DOPC) * pulmonary surfactant * oxidative stress
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.145, year: 2012
Permanent Link: http://hdl.handle.net/11104/0006953 - 5.0369517 - ÚOCHB 2012 RIV US eng J - Journal Article
Heger, D. - Nachtigallová, Dana - Surman, F. - Krausko, J. - Magyarová, B. - Brumovský, M. - Rubeš, M. - Gladich, Ivan - Klán, P.
Self-Organization of 1-Methylnaphthalene on the Surface of Artificial Snow Grains: A Combined Experimental - Computational Approach.
Journal of Physical Chemistry A. Roč. 115, č. 41 (2011), s. 11412-11422. ISSN 1089-5639. E-ISSN 1520-5215
R&D Projects: GA MŠMT LC512; GA MŠMT ME09064; GA ČR(CZ) GAP208/10/1724
Grant - others:CE-TOCOEN(XE) CZ.1.05/2.1.00/01.0001; GA ČR(CZ) GAP503/10/0947; GA ČR(CZ) GP203/09/P445
Institutional research plan: CEZ:AV0Z40550506
Keywords : excimers * fluorescence spectroscopy * CC2 calculations
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.946, year: 2011
Permanent Link: http://hdl.handle.net/11104/0006747 - 6.0367189 - ÚOCHB 2012 RIV GB eng J - Journal Article
Gladich, Ivan - Pfalzgraff, W. - Maršálek, Ondřej - Jungwirth, Pavel - Roeselová, Martina - Neshyba, S.
Arrhenius analysis of anisotropic surface self-diffusion on the prismatic facet of ice.
Physical Chemistry Chemical Physics. Roč. 13, č. 44 (2011), s. 19960-19969. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA ČR(CZ) GAP208/10/1724; GA MŠMT ME09064; GA MŠMT LC512
Grant - others:NSF(US) CHE-0909227
Institutional research plan: CEZ:AV0Z40550506
Keywords : molecular dynamics simulation * ice-vapor interface * quasi-liquid layer
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.573, year: 2011
Permanent Link: http://hdl.handle.net/11104/0201942 - 7.0365142 - ÚOCHB 2012 RIV US eng J - Journal Article
Szöri, M. - Roeselová, Martina - Jedlovszky, P.
Surface Hydrophilicity-Dependent Water Adsorption on Mixed Self-Assembled Monolayers of C7-CH3 and C7-COOH Residues. A Grand Canonical Monte Carlo Simulation Study.
Journal of Physical Chemistry C. Roč. 115, č. 39 (2011), s. 19165-19177. ISSN 1932-7447. E-ISSN 1932-7455
R&D Projects: GA MŠMT ME09064; GA MŠMT LC512
Institutional research plan: CEZ:AV0Z40550506
Keywords : molecular simulation * wetting * soft organic surfaces
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 4.805, year: 2011
Permanent Link: http://hdl.handle.net/11104/0200455 - 8.0360518 - ÚOCHB 2012 RIV US eng J - Journal Article
Pfalzgraff, W. - Neshyba, S. - Roeselová, Martina
Comparative Molecular Dynamics Study of Vapor-Exposed Basel, Prismatic, and Pyramidal Surfaces of Ice.
Journal of Physical Chemistry A. Roč. 115, č. 23 (2011), s. 6184-6193. ISSN 1089-5639. E-ISSN 1520-5215
R&D Projects: GA MŠMT LC512; GA MŠMT ME09064; GA ČR(CZ) GAP208/10/1724
Institutional research plan: CEZ:AV0Z40550506
Keywords : ice surface * vapor pressure * surface diffusivity * surface lifetime * basel * prismatic
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.946, year: 2011
Permanent Link: http://hdl.handle.net/11104/0006489 - 9.0359024 - ÚOCHB 2012 RIV US eng J - Journal Article
Pašalič, H. - Roeselová, Martina - Lischka, H.
Methyl and Pentyl Chloride in a Microhydrated Environment and at the Liquid Water-Vapor Interface: A Theoretical Study.
Journal of Physical Chemistry B. Roč. 115, č. 8 (2011), s. 1807-1816. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA MŠMT ME09064; GA MŠMT LC512; GA ČR(CZ) GAP208/10/1724
Institutional research plan: CEZ:AV0Z40550506
Keywords : alkyl halides * air-water interface
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.696, year: 2011
Permanent Link: http://hdl.handle.net/11104/0006419 - 10.0347200 - ÚOCHB 2011 RIV US eng J - Journal Article
Callahan, K. M. - Casillas-Ituarte, N. N. - Xu, M. - Roeselová, Martina - Allen, H. C. - Tobias, D. J.
Effect of Magnesium Cation on the Interfacial Properties of Aqueous Salt Solutions.
Journal of Physical Chemistry A. Roč. 114, č. 32 (2010), s. 8359-8368. ISSN 1089-5639. E-ISSN 1520-5215
R&D Projects: GA MŠMT LC512; GA MŠMT ME09064; GA MŠMT 1P05ME798
Grant - others:NSF(US) CHE-0749807
Institutional research plan: CEZ:AV0Z40550506
Keywords : magnesium cation * chloride ion * interface * molecular dynamics * sum frequency
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.732, year: 2010
Permanent Link: http://hdl.handle.net/11104/0006013