2006
Vrbka L., Vondrasek J., Jagoda-Cwiklik B., Vacha R., Jungwirth P.:
Quantification and rationalization of the higher affinity of sodium over potassium to protein surface.
Proceedings of the National Academy of Sciences, 103: 15440-15444, 2006.
Vrbka L., Jungwirth P.:
Homogeneous freezing of water starts in the subsurface.
Journal of Physical Chemistry B, 110 (37): 18126-18129, 2006.
Wick C.D., Dang L.X., Jungwirth P.:
Simulated surface potentials at the vapor-water interface for the KCl aqueous electrolyte solution.
Journal of Chemical Physics, 125: 024706, 2006.
Wang X.-B., Woo H.-K, Jagoda-Cwiklik B., Jungwirth P., Wang L.-S.:
First steps towards dissolution of NaSO4- by water.
Physical Chemistry Chemical Physics, 37: 4294-4296, 2006.
Vacha R., Jungwirth P., Chen J., Valsaraj K.:
Adsorption of polycyclic aromatic hydrocarbons at the air–water interface: Molecular dynamics simulations and experimental atmospheric observations.
Physical Chemistry Chemical Physics, 38: 4461-4467, 2006.
Hoefft O., Borodin A., Kahnert U., Kempter V., Dang L.X., Jugwirth P.:
Surface segregation of dissolved salt ions.
Journal of Physical Chemistry B, 110 (24): 11971-11976, 2006.
Svozil D., Jugwirth P.:
Cluster Model for the Ionic Product of Water: Accuracy and Limitations of Common Density Functional Methods.
Journal of Physical Chemistry A, 110 (29): 9194-9199, 2006.
Minofar B., Vacha R., Wahab A., Mahiuddin S., Kunz W., Jugwirth P.:
Propensity for the Air/Water Interface and Ion Pairing in Magnesium Acetate vs Magnesium Nitrate Solutions: Molecular Dynamics Simulations and Surface Tension Measurements.
Journal of Physical Chemistry B, 110 (32): 15939-15944, 2006.
Wang X.-B., Woo H.-K., Wang L.-S., Minofar B., Jugwirth P.:
Determination of the Electron Affinity of the Acetyloxyl Radical (CH3COO) by Low-Temperature Anion Photoelectron Spectroscopy and ab Initio Calculations.
Journal of Physical Chemistry A, 110 (15): 5047-5050, 2006.
Petrov M., Minofar B., Vrbka L., Jugwirth P., Koelsch P., Motschmann H.:
Aqueous Ionic and Complementary Zwitterionic Soluble Surfactants: Molecular Dynamics Simulations and Sum Frequency Generation Spectroscopy of the Surfaces.
Langmuir, 22 (6): 2498-2505, 2006.
Hrobarik T., Vrbka L., Jugwirth P.:
Selected biologically relevant ions at the air/water interface: A comparative molecular dynamics study.
Biophysical Chemistry, 124 (6): 238-242, 2006.
Winter B., Faubel M., Hertel I.V., Bradforth S.E., Jagoda-Cwiklik B., Cwiklik L., Jugwirth P.:
Electron Binding Energies of Hydrated H3O+ and OH-: Photoelectron Spectroscopy of Aqueous Acid and Base Solutions Combined with Electronic Structure Calculations.
Journal of the American Chemical Society, 128 (12): 3864-3865, 2006.
Frigato T., Svozil D., Jugwirth P.:
Valence- and Dipole-Bound Anions of the Thymine-Water Complex: Ab Initio Characterization of the Potential Energy Surfaces.
Journal of Physical Chemistry A, 110 (9): 2916-2923, 2006.
Vrbka L., Jugwirth P., Baudiun P., Tourand 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.
Journal of Physical Chemistry B, 110 (13): 7036-7043, 2006.
Jugwirth P., Tobias D.J.:
Specific Ion Effects at the Air/Water Interface.
Journal of Chemical Reviews, 106 (4): 1259-1281, 2006.
Vrbka L., Jugwirth P.:
Brine rejection from freezing salt solutions: A molecular dynamics study.
Physical Reviews Letters, 95: 148501, 2006.