Journal Articles

Research Articles, Journal Papers

[23] Pluhařová, E., Vrbka L., Jungwirth P., The effect of surface pollution on homogeneous ice nucleation: A molecular dynamics study, J. Phys. Chem. C 2010, 114, 7831–7838, doi:10.1021/jp9090238

[22] Fyta M., Kalcher I., Dzubiella J., Vrbka L., Netz R., Ionic force field optimization based on single-ion and ion-pair solvation properties, J. Chem. Phys. 2010, 132, 024911, doi:10.1063/1.3292575

[21] Heyda J., Pokorná J., Vrbka L., Vácha R., Jagoda-Ćwiklik B., Konvalinka J., Jungwirth P., Ion specific effects of sodium and potassium on the catalytic activity of HIV-1 protease, Phys. Chem. Chem. Phys. 2009, 11, 7599–7604, doi:10.1039/b905462f

[20] Vrbka L., Lund M., Kalcher I., Dzubiella J., Netz R., Kunz W., Ion-specific thermodynamics of multicomponent electrolytes: A hybrid HNC/MD approach, J. Chem. Phys. 2009, 131, 154109, doi:10.1063/1.3248218

[19] Horinek D., Herz A., Vrbka L., Sedlmeier F., Mamatkulov S., Netz R., Specific ion adsorption at the air/water interface: The role of hydrophobic solvation, Chem. Phys. Lett. 2009, 479, 173-183, doi:10.1016/j.cplett.2009.07.077 (Frontiers article)

[18] Mason P. E., Dempsey C. E., Vrbka L., Heyda J., Brady J. W., Jungwirth P., Specificity of ion-protein interactions: Complementary and competitive effects of tetrapropylammonium, guanidinium, sulfate, and chloride ions, J. Phys. Chem. B 2009, 113, 3227–3234, doi:10.1021/jp8112232

[17] Lund M., Vrbka L., Jungwirth, P., Specific ion binding to non-polar surface patches of proteins, J. Am. Chem. Soc. 2008, 130, 11582–11583, doi:10.1021/ja803274p

[16] Nachtigallová D., Vrbka L., Bludský O., Nachtigall P., Interaction of acetonitrile with Na-zeolites: Adsorption modes and vibrational dynamics in the zeolite channels and cavities, Phys. Chem. Chem. Phys. 2008, 10, 4189-4198, doi:10.1039/b803024c

[15] Bauerecker S., Ulbig P., Buch V., Vrbka L., Jungwirth P., Monitoring ice nucleation in pure and salty water via high speed imaging and computer simulations, J. Phys. Chem. C 2008, 112, 7631-7636, doi:10.1021/jp711507f (cover)

[14] Otero Areán C., Rodríguez Delgado M., López Bauçà C., Vrbka L., Nachtigall P., Carbon monoxide adsorption on low-silica zeolites — from single to dual and to multiple cation sites, Phys. Chem. Chem. Phys. 2007, 9, 4657-4661, doi:10.1039/b709073k

[13] Vrbka L., Jungwirth P., Molecular dynamics simulations of freezing of water and salt solutions, J. Mol. Liq. 2006, 134, 64-70, doi:10.1016/j.molliq.2006.12.011

[12] Hrobárik T., Vrbka L., Jungwirth P., Selected biologically relevant ions at the air/water interface: A comparative molecular dynamics study, Biophys. Chem. 2006, 124, 238-242, doi:10.1016/j.bpc.2006.04.010 (special issue Ion Hydration)

[11] Vrbka L., Vondrášek J., Jagoda-Ćwiklik B., Vácha R., Jungwirth P., Quantification and rationalization of the higher affinity of sodium over potassium to protein surface, Proc. Natl. Acad. Sci. 2006, 103, 15440-15444, doi:10.1073/pnas.0606959103

[10] Vrbka L., Jungwirth P., Homogeneous freezing of water starts in the subsurface, J. Phys. Chem. B 2006, 110, 18126-18129, doi:10.1021/jp064021c (cover)

[9] Vrbka L., Jungwirth P., Bauduin P., Touraud D., Kunz W., Specific ion effects at protein surfaces: A molecular dynamics study of bovine pancreatic trypsin inhibitor and horseradish peroxidase in selected salt solutions, J. Phys. Chem. B 2006, 110, 7036-7043, doi:10.1021/jp0567624

[8] Petrov M., Minofar B., Vrbka L., Jungwirth P., Kölsch P., Motschmann H., Aqueous ionic and complementary zwitterionic soluble surfactants: Molecular dynamics simulations and sum frequency generation spectroscopy of the surfaces, Langmuir 2006, 22, 2498-2505, doi:10.1021/la0532095

[7] Vrbka L., Jungwirth P., Brine rejection from freezing salt solutions: A molecular dynamics study, Phys. Rev. Lett. 2005, 95, 148501 doi:10.1103/PhysRevLett.95.148501

[6] Winter B., Weber R., Hertel I. V., Faubel M., Vrbka L., Jungwirth P., Effect of bromide on the interfacial structure of aqueous tetrabutylammonium iodide: Photoelectron spectroscopy and molecular dynamics simulations, Chem. Phys. Lett. 2005, 410, 222-227, doi:10.1016/j.cplett.2005.05.084

[5] Minofar B., Vrbka L., Mucha M., Jungwirth P., Yang X., Wang X.-B., Fu Y.-J., Wang L.-S., Interior and interfacial aqueous solvation of benzene dicarboxylate dianions and their methylated analogues: A combined molecular dynamics and photoelectron spectroscopy study, J. Phys. Chem. A 2005, 109, 5042-5049, doi:10.1021/jp050836u

[4] Vrbka L., Jungwirth P., Counter-ion effects and interfacial properties of aqueous tetrabutylammonium halide solutions, Austr. J. Chem. 2004, 57, 1211-1217, doi:10.1071/CH04125 (cover)

[3] Vrbka L., Mucha M., Minofar B., Jungwirth P., Brown E. C., Tobias D. J., Propensity of soft ions for the air/water interface, Curr. Opin. Colloid Interface Sci. 2004, 9, 67-73 doi:10.1016/j.cocis.2004.05.028

[2] Winter B., Weber R., Schmidt P. M., Hertel I. V., Faubel M., Vrbka L., Jungwirth P., Molecular structure of surface-active salt solutions: Photoelectron spectroscopy and molecular dynamics simulations of aqueous tetrabutylammonium iodide, J. Phys. Chem. B 2004, 108, 14558-14564, doi:10.1021/jp0493531

[1] Vrbka L., Klán P., Kříž Z., Koča J., Wagner P. J., Computer modeling and simulations on flexible bifunctional systems: Intramolecular energy transfer implications, J. Phys. Chem. A 2003, 107, 3404-3413, doi:10.1021/jp026890h