Publications:

181. Ottosson, N.; Heyda, J.; Wernersson, E.; Pokapanich, W.; Svensson, S.; Winter, B.; Ohrwall, G.; Jungwirth, P.; Bjorneholm, O.: The influence of concentration on the molecular surface structure of simple and mixed aqueous electrolytes. Physical Chemistry Chemical Physics, accepted. Abstract. Pdf version.

180. Vacha, R.; Jurkiewicz, P.; Petrov, M.; Berkowitz; Bockmann, R. A.; Barucha-Kraszewska, J.; Hof, M.; Jungwirth, P.: Mechanism of interaction of monovalent ions with phosphatidylcholine lipid membranes. Journal of Physical Chemistry B, accepted. Abstract. Pdf version.

179. Heyda, J.; Mason, P. E.; Jungwirth, P.: Attractive interactions between sidechains of histidine-histidine and histidinearginine based cationic dipeptides in water. Journal of Physical Chemistry B, accepted. Abstract. Pdf version.

178. Beranova, L.; Cwiklik, L.; Jurkiewicz, P.; Hof, M.; Jungwirth, P.: Oxidation Changes Physical Properties of Phospholipid Bilayers: Fluorescence Spectroscopy and Molecular Simulations. Langmuir, 26 (2010) 6140. Abstract. Pdf version.

177. Pluharova, E.; Vrbka, L.; Jungwirth, P.: The effect of surface pollution on homogeneous ice nucleation: A molecular dynamics study. Journal of Physical Chemistry C, 114 (2010) 7831. Abstract. Pdf version.

176. Schroder, D.; Duchackova, L.; Jusinski, I.; Eckert-Maksic, M.; Heyda, J.; Tuma, L.; Jungwirth, P.: Characterization of the Triple Ion [(CH3)4N+ . PF6 . . (CH3)4N+] in the Gas Phase. Chemical Physics Letters, 490 (2010) 14. Abstract. Pdf version.

175. Cwiklik, L.; Jungwirth, P.: Massive oxidation of phospholipid membranes leads to pore creation and bilayer disintegration. Chemical Physics Letters, 486 (2010) 99. Abstract. Pdf version.

174. Heyda, J.; Vincent, J. C.; Tobias, D. J.; Dzubiella, J.; Jungwirth, P.: Ion specificity at the peptide bond: Molecular dynamics simulations of N-methylacetamide in aqueous salt solutions. Journal of Physical Chemistry B, 114 (2010) 1213. Abstract. Pdf version.

173. Lund, M.; Jagoda-Cwiklik, B.; Woodward, C. E.; Vacha, R.; Jungwirth, P.: Dielectric Interpretation of Specificity of Ion Pairing in Water. Journal of Physical Chemistry Letters, 1 (2010) 300. Abstract. Pdf version.

172. Marsalek, O.; Frigato, T.; VandeVondele J.; Bradforth, S. E.; Schmidt, B.; Schuette, C.; Jungwirth, P.: Hydrogen forms in water by proton transfer to a distorted electron. Journal of Physical Chemistry B, 114 (2010) 915. Abstract. Pdf version.

171. Ottosson, N.; Faubel, M.; Bradforth, S. E; Jungwirth, P.; Winter, B.: Photoelectron spectroscopy of liquid water and aqueous solution: Electron effective attenuation lengths and emission-angle anisotropy. Journal of Electron Spectroscopy and Related Phenomena, 177 (2010) 60. Abstract. Pdf version.

170. Lund, M.; Heyda, J.; Jungwirth, P.: Ion binding to bio-molecules. in: Specific ion effects, ed. Kunz, W.; World Scientific, 2010, 217. Pdf version.

169. Vondrasek, J.; Mason, P. E.; Heyda, J.; Collins, K. D.; Jungwirth, P.: The Molecular Origin of Like-Charge Arginine-Arginine Pairing in Water. Journal of Physical Chemistry B, 113 (2009) 9041. Abstract. Pdf version.

168. Wang, X.-B.; Jagoda-Cwiklik B.; Chi, C.; Xing, X.-P.; Zhou, M.; Jungwirth, P.; Wang, L.-S.: Microsolvation of the acetate anion [CH3CO2-(H2O)n, n = 1-3]: A photoelectron spectroscopy and ab initio computational study. Chemical Physics Letters, 477 (2009) 41. Abstract. Pdf version.

167. Vacha, R.; Berkowitz, M. L.; Jungwirth, P.: Molecular model of a cell plasma membrane with asymmetric multicomponent composion: Water permeation and ion effects. Biophysical Journal, 96 (2009) 44493. Abstract. Pdf version.

166. Ottosson, N.; Vacha, R.; Aziz, E. F.; Pokapanich, W.; Eberhardt, W.; Svensson, S.; Ohrwall, G.; Jungwirth, P.; Bjorneholm, O.; Winter, B.: Large variations in the propensity of aqueous oxychlorine anions for the solution/vapor interface. Journal of Chemical Physics, 131 (2009) 124706. Abstract. Pdf version.

165. Slavicek, P.; Winter, B.; Faubel, M.; Bradforth, S. E.; Jungwirth, P.: Ionization energies of aqueous nucleic acids: Photoelectron spectroscopy of pyrimidine nucleosides and ab initio calculations. Journal of the American Chemical Society, 131 (2009) 6460. Abstract. Pdf version.

164. Winter, B.; Faubel, M.; Vacha, R.; Jungwirth, P.: Behavior of hydroxide at the water/vapor interface. Chemical Physics Letters, 474 (2009) 241. Abstract. Pdf version.

163. Heyda, J.; Pokorna, J.; Vrbka, L.; Vacha, R.; Jagoda-Cwiklik, B.; Konvalinka, J.; Jungwirth, P.; Vondrasek, J.: Ion specific effects of sodium and potassium on the catalytic activity of HIV-1 protease. Physical Chemistry Chemical Physics, 11 (2009) 7599. Abstract. Pdf version.

162. Jungwirth, P.: Ions at Aqueous Interfaces. Faraday Discussions (Spiers Memorial Lecture), 141 (2009) 9. Abstract. Pdf version.

161. Neshyba, S.; Nugent, E.; Roeselova; Jungwirth, P.: Molecular Dynamics Study of Ice-Vapor Interactions via the Quasi-Liquid Layer. Journal of Physical Chemistry C, 113 (2009) 4597. Abstract. Pdf version.

160. Vacha, R.; Megyes, T.; Bako, I.; Pusztai, I.; Jungwirth, P.: Benchmarking polarizable molecular dynamics simulations of aqueous sodium hydroxide by diffraction measurements. Journal of Physical Chemistry A, 113 (2009) 4022. Abstract. Pdf version.

159. Vacha, R.; Siu, S. W. I.; Petrov, M.; Bockmann, R. A.; Barucha-Kraszewska, J.; Jurkiewicz, P.; Hof. M.; Berkowitz, M. L.; Jungwirth, P.: Effects of alkali cations and halide anions on the DOPC lipid membrane. Journal of Physical Chemistry A, 113 (2009) 7235. Abstract. Pdf version.

158. Vlachy, N.; Jagoda-Cwiklik, B.; Vacha, R.; Touraud, D.; Jungwirth, P.; Kunz, W.: Hofmeister series and specific interactions of charged headgroups with aqueous ions. Advances in Colloid and Interface Science, 146 (2009) 42. Abstract. Pdf version.

157. Heyda, J.; Hrobarik, T.; Jungwirth, P.: Ion specific interactions between halides and basic amino acids in water. Journal of Physical Chemistry A, 113 (2009) 1969. Abstract. Pdf version.

156. Mason, P. E.; Dempsey, C. E.; Vrbka, L.; Heyda, J.; John. W. Brady; Jungwirth, P.: Specificity of Ion-Protein Interactions: Complimentary and Competitive Effects of Tetrapropylammonium, Guanidinium, Sulfate, and Chloride Ions. Journal of Physical Chemistry B, 113 (2009) 3227. Abstract. Pdf version.

155. Lund, M.; Jungwirth, P.: Patchy proteins, anions and Hofmeister series. Journal of Physics Condensed Matter, 20 (2008) 494218. Abstract. Pdf version.

154. Mahiuddin, S.; Minofar, B.; Borah, J. M.; Das, M. R.; Jungwirth, P.: Propensities of Oxalic, Citric, Succinic, and Maleic Acids for the Aqueous Solution/Vapour Interface: Surface Tension Measurements and Molecular Dynamics Simulations. Chemical Physics Letters, 462 (2008) 217. Abstract. Pdf version.

153. Mics, Z.; Kuzel, P.; Jungwirth, P.; Bradforth, S. E.: Photoionization of atmospheric gases studied by time-resolved terahertz spectroscopy. Chemical Physics Letters, 465 (2008) 20. Abstract. Pdf version.

152. Lund, M.; Vrbka, L.; Jungwirth, P.: Specific Ion Binding to Non-Polar Surface Patches of Proteins. Journal of the American Chemical Society, 130 (2008) 11582. Abstract. Pdf version.

151. Cwiklik, L.; Kubisiak, P.; Kulig, W.; Jungwirth, P.: Reactivity of a sodium atom in vibrationally excited water clusters: An ab initio molecular dynamics study. Chemical Physics Letters, 460 (2008) 112. Abstract. Pdf version.

150. Ghosal, S.; Brown, M. A.; Krisch, M. J.; Bluhm, H.; Salmeron, M.; Jungwirth, P.; Hemminger, J. C.: Ion partitioning at the liquid/vapor interface of a multi-component alkali halide solution: A model for aqueous sea salt aerosols. Journal of Physical Chemistry A, 112 (2008) 12378. Abstract. Pdf version.

149. Vacha, R.; Horinek, D.; Berkowitz, M. L.; Jungwirth, P.: Hydronium and hydroxide at the interface between water and hydrophobic media. Physical Chemistry Chemical Physics, 10 (2008) 4975. Abstract. Pdf version.

148. Aziz, E. F.; Ottosson, N.; Eisebitt, S.; Jagoda-Cwiklik, B.; Vacha, R.; Jungwirth, P.; Winter, B.: Cation-specific interactions with carboxylate in amino acid and acetate aqueous solutions: X-ray absorption and ab initio calculations. Journal of Physical Chemistry B, 112 (2008) 12567. Abstract. Pdf version.

147. Lund, M.; Jungwirth, P.; Woodward, C. E.: Ion Specific Protein Assembly and Hydrophobic Surface Forces. Physical Reviews Letters, 100 (2008) 258105. Abstract. Pdf version.

146. Pluharova, E.; Jungwirth, P.: The onset of ion solvation by ab initio calculations: Comparison between water and methanol. Collection of Czechoslovak Chemical Communication, 73 (2008) 733. Abstract. Pdf version.

145. Jagoda-Cwiklik, B.; Slavicek, P.; Nolting, D.; Winter, B.; Jungwirth, P.: Ionization of Aqueous Cations: Photoelectron Spectroscopy and Ab Initio Calculations of Protonated Imidazole. Journal of Physical Chemistry B, 112 (2008) 7355. Abstract. Pdf version.

144. Pieniazek, P. A.; VandeVondele J.; Jungwirth, P.; Krylov, A. I.; Bradforth, S. E.: Electronic Structure of the Water Dimer Cation. Journal of Physical Chemistry A, 112 (2008) 6159. Abstract. Pdf version.

143. Vacha, R.; Zangi, R.; Engberts, J. B. F. N.; Jungwirth, P.: Water Structuring and Hydroxide Ion Binding at the Interface between Water and Hydrophobic Walls of Varying Rigidity and van der Waals Interactions. Journal of Physical Chemistry C, 112 (2008) 7689. Abstract. Pdf version.

142. Cwiklik, L.; Buck, U.; Kulig, W.; Kubisiak, P.; Jungwirth, P.: A Sodium Atom in a Large Water Cluster: Electron Delocalization and Infrared Spectra. Journal of Chemical Physics, 128 (2008) 154306. Abstract. Pdf version.

141. Vacha, R.; Cwiklik, L.; Rezac, J.; Hobza, P.; Jungwirth, P.; Valsaraj, K.; Bahr, S.; Kempter, V.: Adsorption and Heterogeneous Reactions of Aromatic Hydrocarbons at Environmental Aqueous Surfaces. Journal of Physical Chemistry A, 112 (2008) 4942. Abstract. Pdf version.

140. Jungwirth, P.: Voda, sama voda (Water, water all around). Chemiske Listy (review, in Czech), 102 (2008) 227. Pdf version.

139. Frigato, T.; VandeVondele J.; Schmidt, B.; Schuette, C.; Jungwirth, P.: Ab initio molecular dynamics simulation of a medium-sized water cluster anion: from an interior to a surface located excess electron via a delocalized state. Journal of Physical Chemistry A, 112 (2008) 6125. Abstract. Pdf version.

138. 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. Journal of Physical Chemistry C, 112 (2008) 7631. Abstract. Pdf version.

137. Jagoda-Cwiklik, B.; Slavicek, P.; Cwiklik, L.; Nolting, D.; Winter, B.; Jungwirth, P.: Ionization of imidazole in the gas phase, microhydrated environments, and in the aqueous solution. Journal of Physical Chemistry A, 112 (2008) 3499. Abstract. Pdf version.

136. Siu, S. W. I; Vacha, R.; Jungwirth, P.; Bockmann, R. A.: Biomolecular simulations of membranes: Physical properties from different force fields. Journal of Chemical Physics, 128 (2008) 125103. Abstract. Pdf version.

135. Lund, M.; Vacha, R.; Jungwirth, P.: Specific Ion-Binding to Macromolecules: Effects of Hydrophobicity and Ion Pairing. Langmuir, 24 (2008) 3387. Abstract. Pdf version.

134. Aziz, E. F.; Eisebitt, S.; Eberhard, W.; Cwiklik, L.; Jungwirth, P.: Existence of extended oriented ion-hydroxide clusters in concentrated aqueous solution. Journal of Physical Chemistry B, 112 (2008) 1262. Abstract. Pdf version.

133. Picalek, J.; Minofar, B.; Kolafa, J.; Jungwirth, P.: Aqueous solutions of ionic liquids: Study of the solution/vapor interface using molecular dynamics simulations. Physical Chemistry Chemical Physics, 10 (2008) 5765. Abstract. Pdf version.

132. Jungwirth, P.; Winter, B.: Ions at aqueous interfaces: From water surface to hydrated proteins. Annual Reviews of Physical Chemistry, 59 (2008) 343. Abstract. Pdf version.

131. Jagoda-Cwiklik, B.; Vacha, R.; Lund, M.; Srebro, M.; Jungwirth, P.: Ion pairing as a possible clue for discriminating between sodium and potassium in biological and other complex environments. Journal of Physical Chemistry B, 111 (2007) 14077. Abstract. Pdf version.

130. Vacha, R.; Buch, V.; Milet, A.; Devlin, J. P.; Jungwirth, P.: Autoionization at the surface of neat water: Is the top layer pH neutral, basic, or acidic? (Invited Article) & Reply to Comment. Physical Chemistry Chemical Physics, 9 (2007) 4736. Abstract. Pdf version. Reply_Pdf version.

129. Vrbka, L.; Jungwirth, P.: Molecular simulations of water freezing: Brine rejection and homogeneous nucleation. in Physics and Chemistry of Ice, ed. W. Kuhs, RSC Publishing, London, 2007, pp. 627-634. Pdf version.

128. Hoefft, O.; Kahnert, U.; Bahr, S.; Kempter, V.; Jungwirth, P.; Dang, L. X.: Segregation of salt ions at amorphous solid and liquid surfaces. in Physics and Chemistry of Ice, ed. W. Kuhs, RSC Publishing, London, 2007, pp. 217-223. Pdf version.

127. Rulisek, L.; Exner, O.; Cwiklik, L.; Jungwirth, P.; Stary, I.; Havlas, Z.: On the convergence of the physico-chemical properties of [n]helicenes. Journal of Physical Chemistry C, 111 (2007) 14948. Abstract. Pdf version.

126. Jagoda-Cwiklik, B.; Jungwirth, P.; Rulisek, L.; Milko, P.; Roithova, J.; Lemaire, J.; Maitre, P.; Ortega, J. M.; Schroder, D.: Micro-hydration of the MgNO3+ cation in the gas phase. ChemPhysChem, 8 (2007) 1629. Abstract. Pdf version.

125. Buch, V.; Milet, A.; Vacha, R.; Jungwirth, P.; Devlin, J. P.: Water surface is acidic. Proceedings of the National Academy of Sciences, 104 (2007) 7342. Abstract. Pdf version.

124. Jagoda-Cwiklik B.; Wang, X.-B.; Woo, H.-K; Yang, J.; Wang, G.-J.; Zhou, M.; Jungwirth, P.; Wang, L.-S.: Microsolvation of the Dicyanamide Anion: [N(CN)2-](H2O)n (n = 0-12) Journal of Physical Chemistry A, 111 (2007) 7719. Abstract. Pdf version.

123. Cwiklik, L.; Andersson, G.; Dang, L. X.; Jungwirth, P.: Segregation of inorganic ions at surfaces of polar non-aqueous liquids. ChemPhysChem (Minireview), 8 (2007) 1457. Abstract. Pdf version.

122. Minofar, B.; Jungwirth, P.; Das, M. R.; Kunz, W.; Mahiuddin, S.: Jungwirth, P.: Propensity of Formate, Acetate, Benzoate, and Phenolate for the Aqueous Solution/Vapour Interface: Surface Tension Measurements and Molecular Dynamics Simulations. Journal of Physical Chemistry C, 111 (2007) 8242. Abstract. Pdf version.

121. Andersson, G.; Morgner, H.; Cwiklik, L.; Jungwirth, P.: Anions of Alkali Halide Salts at Surfaces of Formamide Solutions: Concentration Depth Profiles and Surface Topography. Journal of Physical Chemistry C, 111 (2007) 4379. Abstract. Pdf version.

120. Sykora, J.; Slavicek, P.; Jungwirth, P.; Baruch, J.; Hof, M.: Time dependent Stokes shifts of fluorescent dyes in the hydrophobic backbone region of a phospholipid bilayer: Combination of fluorescence spectroscopy and ab initio calculations. Journal of Physical Chemistry B, 111 (2007) 5869. Abstract. Pdf version.

119. Vrbka, L.; Jugwirth, P.: Molecular dynamics simulations of freezing of water and salt solutions. Journal of Molecular Liquids, 134 (2007) 64. Abstract. Pdf version.

118. 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 (2006) 15440. Abstract. Pdf version.

117. Vrbka, L.; Jungwirth, P.: Homogeneous freezing of water starts in the subsurface. Journal of Physical Chemistry B, 110 (2006) 18126. Abstract. Pdf version.

116. 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 (2006) 024706. Abstract. Pdf version.

115. 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, 8 (2006) 4294. Abstract. Pdf version.

114. 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, 8 (2006) 4461. Abstract. Pdf version.

113. 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 (2006) 11971. Abstract. Pdf version.

112. 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 (2006) 9194. Abstract. Pdf version.

111. Minofar, B.; Vacha, R.; Wahab, A.; Mahiuddin, S.; Kunz, W.; Jungwirth, 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 (2006) 15939. Abstract. Pdf version.

110. 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 (2006) 5047. Abstract. Pdf version.

109. 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 (2006) 2498. Abstract. Pdf version.

108. Hrobarik, T.; Vrbka, L.; Jugwirth, P.: Selected biologically relevant ions at the air/water interface: A comparative molecular dynamics study. Biophysical Chemistry, 124 (2006) 238. Abstract. Pdf version.

107. Winter, B.; Faubel, M.; Hertel., I. V.; Bradforth, S. E.; Jagoda-Cwiklik, B.; Cwiklik, L.; Jungwirth, 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 (2006) 3864. Abstract. Pdf version.

106. 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 (2006) 2916. Abstract. Pdf version.

105. 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 (2006) 7036. Abstract. Pdf version.

104. Jungwirth, P.; Tobias, D. J.: Specific ion effects at the air/water interface (Review) & Introduction to the Special Issue. Chemical Reviews, 106 (2006) 1259. Abstract. Pdf version. Introduction_Pdf version.

103. Vrbka, L.; Jungwirth, P.: Brine rejection from freezing salt solutions: A molecular dynamics study. Physical Reviews Letters, 95 (2005) 148501. Abstract. Pdf version.

102. Wahab, A.; Mahiuddin, S.; Hefter, G.; Kunz, W.; Minofar, B.; Jungwirth, P.: Ultrasonic velocities, densities, viscosities, electrical conductivities, Raman spectra, and molecular dynamics simulations of aqueous solutions of Mg(OAc)2 and Mg(NO3)2: Hofmeister effects and ion pair formation. Journal of Physical Chemistry B, 109 (2005) 24108. Abstract. Pdf version.

101. Mics, Z.; Kadlec, F.; Kadlec, C.; Kuzel, P.; Jungwirth, P.; Bradforth, S. E.; Apkarian, V. A.: Nonresonant ionization of oxygen molecules by femtosecond pulses: plasma dynamics studied by time-resolved terahertz spectroscopy. Journal of Chemical Physics, 123 (2005) 104310. Abstract. Pdf version.

100. Mucha, M.; Frigato, T.; Levering, L.; Allen, H. C.; Tobias, D.J.; Dang, L. X.; Jungwirth, P.: A unified molecular picture of the surfaces of aqueous acid, base, and salt solutions. (Feature Article) Journal of Physical Chemistry B, 109 (2005) 7617. Abstract. Pdf version.

99. Tuma, L.; Jenicek, D.; Jungwirth, P.: Propensity of heavier halides for the water/vapor interface revisited using the Amoeba force field. Chemical Physics Letters, 411 (2005) 70. Abstract. Pdf version.

98. Farnik, M.; Nahler, N. H.; Buck, U.; Slavicek, P.; Jungwirth, P.: Photodissociation of HBr on the surface of Arn clusters at 193 nm. Chemical Physics, 315 (2005) 161. Abstract. Pdf version.

97. 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. Journal of Physical Chemistry A, 109 (2005) 5042. Abstract. Pdf version.

96. Petersen, P. B.; Mucha,M.; Jungwirth, P.; Saykally, R. J.: Enhanced Concentration of Polarizable Anions at the Liquid Water Surface: SHG Spectroscopy and MD Simulations of Sodium Thiocyanide. (& Erratum.) Journal of Physical Chemistry B, 109 (2005) 10915. Abstract. Pdf version. Erratum Pdf version.

95. Gopalakrishnan, S.; Jungwirth, P.; Tobias, D. J.; Aleen, H. C.: Air-Liquid Interfaces of Aqueous Solutions Containing Ammonium and Sulfate: Spectroscopic and Molecular Dynamics Studies. Journal of Physical Chemistry B, 109 (2005) 8861. Abstract. Pdf version.

94. Winter, B.; Weber, R.; Hertel., I. V.; Faubel, M.; Jungwirth, P.; Brown, E. C.; Bradforth, S. E.: Electron Binding Energies of Aqueous Alkali and Halide Ions: EUV Photoelectron Spectroscopy of Liquid Solutions and Combined ab initio and Molecular Dynamics Calculations. Journal of the American Chemical Society, 127 (2005) 7203. Abstract. Pdf version.

93. Winter, B.; Weber, R.; Hertel., I. V.; Faubel, M.; Vrbka, L.; Jungwirth, P.: Effect of Bromide on the Interfacial Structure of Aqueous Tetrabutyl-Ammonium Iodide: Photoelectron Spectroscopy and Molecular Dynamics Simulations. Chemical Physics Letters, 410 (2005) 222. Abstract. Pdf version.

92. Brown, E. C.; Mucha M.; Jungwirth, P.; Tobias, D. J.: Structure and vibrational spectrosopy of salt water/air interfaces: Predictions from classical molecular dynamics simulations. Journal of Physical Chemistry B, 109 (2005) 7934. Abstract. Pdf version.

91. Nemec, H.; Kadlec, F.; Kadlec, C.; Kuzel, P.; Jungwirth, P.: Ultrafast far-infrared dynamics probed by terahertz pulses: a fequency domain approach. II. Applications. Journal of Chemical Physics, 122 (2005) 104504. Abstract. Pdf version.

90. Nemec, H.; Kadlec, F.; Surendran, S.; Kuzel, P.; Jungwirth, P.: Ultrafast far-infrared dynamics probed by terahertz pulses: a fequency domain approach. I. Model systems. Journal of Chemical Physics, 122 (2005) 104503. Abstract. Pdf version.

89. Svozil, D.; Frigato, T.; Havlas, Z.; Jungwirth, P.: Ab initio electronic structure of thymine anions. Physical Chemistry Chemical Physics, 7 (2005) 840. Abstract. Pdf version.

88. Jungwirth, P.; Rosenfeld, D.; Buch, V.: A possible new molecular mechanism of thundercloud electrification. Atmospheric Research, 76 (2005) 190. Abstract. Pdf version.

87. Minofar, B.; Mucha, M.; Jungwirth, P.; Yang, X.; Fu, Y.-J.; Wang, X.-B.; Wang, L.-S.: Bulk vs. Interfacial Aqueous Solvation of Dicarboxylate Dianions. Journal of the American Chemical Society, 126 (2004) 11691. Abstract. Pdf version.

86. Vrbka, L.; Jungwirth, P.: Counter-Ion Effects and Interfacial Properties of Aqueous Tetrabutyl Ammonium Halide Solutions. Australian Journal of Chemistry, 57 (2004) 1211. Abstract. Pdf version.

85. 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 tetrabutyl-ammonium iodide. Journal of Physical Chemistry B, 108 (2004) 14558. Abstract. Pdf version.

84. Slavicek, P.; Jungwirth, P: Photodissociation of hydrogen halides in a cryogenic rare gas environment: A complex approach to simulations of cluster experiments. In: Theory of chemical reaction dynamics. NATO Science Series II (Vol. 145). Lagana, A; Lendvay, G. (eds.), Kluwer, Amsterdam, 2004, p. 467. Abstract. Gzipped postscript.

83. Svozil, D.; Havlas, Z.; Jungwirth, P.: Electron binding to nucleic acid bases. Experimental and theoretical studies. Collection of Czechoslovak Chemical Communication, 69 (2004) 1395. Abstract. Pdf version.

82. Ronen, S.; Nachtigallova, D.; Schmidt, B.; Jungwirth, P.: Non-adiabatic chemical reaction triggered by electron photodetachment: An ab initio quantum dynamical study. Physical Review Letters, 93 (2004) 048301. Abstract. Pdf version.

81. Sindelka, M.; Spirko, V.; Jungwirth, P; Wang, F.; Mahalakshmi, S.; Jordan, K. D.: Calculation of the Photodetachment Cross Sections of the HCN- and HNC- Dipole-bound Anions as Described by a One-Electron Drude Model. Journal of Chemical Physics, 121 (2004) 1824. Abstract. Pdf version.

80. Vrbka, L.; Mucha, M.; Minofar, B.; Jungwirth, P.; Brown, E. C.; Tobias, D. J.: Propensity of Soft Ions for the Air/Water Interface. Current Oppinion in Interface and Colloid Science, 9 (2004) 67. Abstract. Pdf version.

79. Vacha, R.; Slavicek, P.; Mucha, M.; Finlayson-Pitts, B. J.; Jungwirth, P.: Adsorption of atmospherically relevant gases at the air/water interface: Free energy profiles of aqueous solvation of N2, O2, O3, OH, H2O, HO2, and H2O2. Journal of Physical Chemistry A, 108 (2004) 11573. Abstract. Pdf version.

78. Yang, X.; Kiran, B.; Wang, X.-B.;Wang, L.-S.; Mucha, M; Jungwirth, P.: Solvation of the Azide Anion (N3-) in Water Clusters and Aqueous Interfaces: A Combined Investigation by Photoelectron Spectroscopy, Density Functional Calculations, and Molecular Dynamics Simulations. Journal of Physical Chemistry A, 108 (2004) 7820. Abstract. Pdf version.

77. Yang, X.; Fu, Y.-J.; Slavicek, P.; Mucha, M; Jungwirth, P.; Wang, L.-S.: Solvent-mediated folding of a doubly charged anion. Journal of the American Chemical Society, 126 (2004) 876. Abstract. Pdf version.

76. Kadlec, F.; Kadlec, C.; Kuzel, P.; Slavicek, P.; Jungwirth, P.: Optical pump-terahertz probe spectroscopy of dyes in solutions: Probing the dynamics of liquid solvent or solid precipitate? Journal of Chemical Physics, 120 (2004) 912. Abstract. Pdf version.

75. Slavicek, P.; Jungwirth, P.; Lewerenz, M.; Nahler, N. H.; Farnik, M.; Buck, U.: Photodissociation of hydrogen iodide on the surface of large argon clusters: The orientation of the librational wavefunction and the scattering from the cluster cage. Journal of Chemical Physics, 120 (2004) 4498. Abstract. Gzipped postscript.

74. Mucha, M.; Hrobarik, T.; Jungwirth, P.: Surface tension from molecular dynamics simulations: Adsorption at the gas-liquid interface. Israel Journal of Chemistry, 43 (2003) 393. Abstract. Pdf version.

73. Slavicek, P.; Jungwirth, P.; Lewerenz, M.; Nahler, N. H.; Farnik, M.; Buck, U.: Pick-up and photodissociation of hydrogen halides in floppy neon clusters. Journal of Physical Chemistry A, 107 (2003) 7743. Abstract. Pdf version.

72. Salvador, P.; Curtis, J. E.; Tobias, D. J.; Jungwirth, P.: Polarizability of the nitrate anion and its solvation at the air/water interface. Physical Chemistry Chemical Physics, 5 (2003) 3752. Abstract. Word version.

71. Nahler, N. H.; Baumfalk, R.; Buck, U.; Vach, H.; Slavicek, P.; Jungwirth, P.: Photodissociation of HBr in and on Arn clusters: The role of the position of the molecule. Physical Chemistry Chemical Physics, 5 (2003) 3394. Abstract. Pdf version.

70. Roeselova, M.; Jungwirth, P; Tobias, D. J.; Gerber, R. B.: Impact, trapping, and accomodation of hydroxyl radical and ozone at salt aerosol surfaces: A molecular dynamics study. Journal of Physical Chemistry B, 107 (2003) 12690. Abstract. Gzipped postscript (without figures).

69. Jungwirth, P.; Buch, V.: Van der Waals attraction and coalescence of aqueous salt nanodroplets. Collection of Czechoslovak Chemical Communication, 68 (2003) 2283. Abstract. Gzipped postscript.

68. Mucha, M.; Jungwirth, P.: Salt crystallization from an evaporating aqueous solution by molecular dynamics simulations. Journal of Physical Chemistry B, 107 (2003) 8271. Abstract. Word version.

67. Jungwirth P.: Aerosols and the chemistry of the atmosphere (in Czech). Vesmir, 82 (2003) 196. Word version.

66. Jungwirth, P.: Physical properties and atmospheric reactivity of aqueous sea salt micro-aerosols. in: Water in confining geometries (Cluster Physics Series). Buch, V.; Devlin, J. P. (Eds.), Springer Verlag, p. 277 (2003). Abstract. Gzipped postscript (without figures).

65. Jungwirth, P.; Curtis, J. E.; Tobias, D. J.: Polarizability and aqueous solvation of sulfate dianion. Chemical Physics Letters, 367 (2003) 704. Abstract. Gzipped postscript.

64. Jungwirth, P.; Gerber, R. B.; Ratner, M. A: Quantum simulations of vibrational dephasing of molecules in a cryogenic environment: HArF in an Argon Cluster. Israel Journal of Chemistry, 42 (2002) 157. Abstract. Gzipped postscript.

63. Roeselova, M.; Mucha, M.; Schmidt, B; Jungwirth, P.: Quantum dynamics and spectroscopy of electron photodetachment in Cl-...H2O and Cl-...D2O complexes. Journal of Physical Chemistry A, 106 (2002) 12229. Abstract. Gzipped postscript (without figures).

62. Sindelka, M.; Spirko, V.; Jungwirth, P.: Electrons weakly bound to hydrogen bonded clusters: A pseudopotential model including dispersion interactions Journal of Chemical Physics, 117 (2002) 5113. Abstract. Gzipped postscript.

61. Jungwirth, P.; Tobias, D. J.: Ions at the air/water interface. (Feature Article) Journal of Physical Chemistry B, 106 (2002) 6361. Abstract. Gzipped postscript (without figures).

60. Bradforth, S. E.; Jungwirth, P.: The excited states of iodide anions in water: A comparison of the electronic structure in clusters and in bulk solution. Journal of Physical Chemistry A, 106 (2002) 1286. Abstract. Pdf version.

59. Jungwirth, P.; Tobias, D. J.: Chloride anion on aqueous clusters, at the air-water interface, and in liquid water: Solvent effects on Cl^- polarizability. Journal of Physical Chemistry A, 106 (2002) 379. Abstract. Gzipped postscript.

58. Jungwirth, P.; Krylov, A. I.: Small doped ^3He clusters: A systematic quantum chemistry approach to fermionic nuclear wavefunctions and energies. Journal of Chemical Physics, 114 (2001) 10214. Abstract. Gzipped postscript.

57. Jungwirth, P.; Tobias, D. J.: The molecular structure of salt solutions: A new view of the interface with implications for heterogeneous atmospheric chemistry. Journal of Physics Chemistry B, 105 (2001) 10468. Abstract. Gzipped Word version.

56. Zdanska, P.; Nachtigallova, D.; Nachtigall, P.; Jungwirth, P.: Nonadiabatic interactions between the ground and low-lying excited electronic states: Vibronic states of the Cl-HCl complex. Journal of Chemical Physics, 114 (2001) 5974. Abstract. Gzipped postscript.

55. Tobias, D. J.; Jungwirth, P.; Parrinello, M.: Surface solvation of halogen anions in water clusters: An ab initio molecular dynamics study of the Cl-(H2O)6 complex. Journal of Chemical Physics, 114 (2001) 7036. Abstract. Word version (without figures).

54. Jungwirth P.: Chemical oscillations based on photoautocatalysis of ozone. Chemical Physics Letters, 342 (2001) 287. Abstract. Gzipped PostScript.

53. Slavicek, P.; Roeselova, M.; Jungwirth, P.; Schmidt, B.: Preference of cluster isomers as a result of quantum delocalization: Potential energy surfaces and intermolecular vibrational states of Ne...HBr, Ne...HI, and HI(Ar)n (n=1-6). Journal of Chemical Physics, 114 (2001) 1539. Abstract. Gzipped PostScript.

52. Jungwirth, P.; Tobias, D.: Surface effects on aqueous ionic solvation: A molecular dynamics simulation study of NaCl at the air/water interface from infinite dilution to saturation. Journal of Physical Chemistry B, 104 (2000) 7702. Abstract. Gzipped PostScript.

51. Slavicek, P.; Zdanska, P.; Jungwirth, P.; Baumfalk, R.; Buck, U.: Size effects on photodissociation and caging of hydrogen bromide inside or on the surface of large inert clusters: From one to three icosahedral argon layers. Journal of Physical Chemistry A, 104 (2000) 7793. Abstract. Gzipped PostScript.

50. Kratochvil, M.; Engkvist, O.; Vacek, J.; Jungwirth, P.; Hobza, P.: Methylated uracil dimers: Potential energy and free energy surfaces. Physical Chemistry Chemical Physics, 2 (2000) 2419. Abstract.

49. Roeselova, M.; Kaldor, U.; Jungwirth, P.: Ultrafast dynamics of chlorine-water and bromine-water radical complexes following electron photodetachment in their anionic precursors. Journal of Physical Chemistry A, 104 (2000) 6523. Abstract. Gzipped PostScript.

48. Zdanska, P.; Slavicek, P.; Jungwirth, P.: HCl photodissociation on argon clusters: Effects of sequential solvation and librational preexcitation. Journal of Chemical Physics, 112 (2000) 10761. Abstract. Gzipped PostScript.

47. Pittner, J.; Jungwirth, P.: Potential energy curves for the ground and low-lying excited states of IBr calculated with relativistic effective core potentials and spin-orbit interactions. Chemical Physics Letters, 321 (2000) 281. Abstract. Gzipped PostScript.

46. Knipping, E. M.; Lakin, M. J.; Foster, K. L.; Jungwirth, P.; Tobias, D. J.; Gerber, R. B.; Dabdub, D.; Finlayson-Pitts, B. J.: Experiments and simulations of ion-enhanced interfacial chemistry on aqueous NaCl aerosols. Science, 288 (2000) 301. Abstract. Word version (without figures).

45. Knospe, O.; Jungwirth P.: Electron photodetachment in C60-: Quantum molecular dynamics with a non-empirical 'on-the-fly' calculated potential. Chemical Physics Letters, 317 (2000) 529. Abstract. Gzipped PostScript.

44. Jungwirth P.; Spirko, V.: Double tunneling: An overlooked quantum effect in anionic molecular clusters. Physical Review Letters, 84 (2000) 1140. Abstract. Gzipped PostScript.

43. Jungwirth P.: How many waters are necessary to dissolve a rock salt molecule? Journal of Physical Chemistry A, 104 (2000) 145. Abstract. Gzipped PostScript.

42. Jungwirth P.: Chemistry in real time (in Czech). Vesmir, 79(1) (2000) 26.

41. Jungwirth P.; Gerber, R. B.: Quantum molecular dynamics of ultrafast processes in large polyatomic systems. Chemical Reviews, 99 (1999) 1583. Abstract. Gzipped PostScript.

40. Jungwirth P.; Roeselova, M.; Gerber, R. B.: Optimal coordinates for separable approximations in quantum dynamics of polyatomic systems: Coordinate choice criteria and error estimates. Journal of Chemical Physics, 110 (1999) 9833. Abstract. Gzipped PostScript.

39. Zdanska, P.; Schmidt, B.; Jungwirth, P.: Photolysis of hydrogen chloride embedded in the first argon solvation shell: Rotational control and quantum dynamics of photofragments. Journal of Chemical Physics, 110 (1999) 6246. Abstract. Gzipped PostScript.

38. Slavicek, P.; Nachtigallova, D.; Jungwirth, P.: First electronically excited state of the water-argon complex: an analytical fit to the CASPT2 potential. Chemical Physics Letters, 300 (1999) 561. Abstract. Gzipped PostScript.

37. Jungwirth P.; Gerber, R. B.: New methods in quantum molecular dynamics of large polyatomic systems. in: Computational Molecular Dynamics: Challenges, Methods, Ideas; Lecture Notes in Computational Science and Engeneering 4, ed. P. Deuflhard et al., Springer, Berlin, 1999, p. 365. Abstract. Gzipped PostScript.

36. Jungwirth, P.; Zdanska, P.; Schmidt, B.: Librational control of photochemical reactions in small clusters. Journal of Physical Chemistry A, 102 (1998) 7241. Abstract. Gzipped PostScript.

35. Roeselova, M; Jacoby, G.; Kaldor, U.; Jungwirth, P.: Relaxation of chlorine anions solvated in small water clusters upon electron photodetachment: The three lowest potential energy surfaces of the neutral Cl...H2O complex. Chemical Physics Letters, 293 (1998) 309. Abstract.

34. Kratochvil, M.; Engkvist, O.; Sponer, J.; Jungwirth, P.; Hobza, P.: Uracil dimer: Potential energy and free energy surfaces. Ab initio beyond Hartree-Fock and empirical potential studies. Journal of Physical Chemistry A, 102 (1998) 6921. Abstract.

33. Jungwirth, P.: Librational control of reactions in large clusters. Chemical Physics Letters, 289 (1998) 324. Abstract. Gzipped PostScript.

32. Nachtigallova, D.; Slavicek, P.; Nachtigall, P.; Jungwirth, P.: Water photolysis in rare gas environment: The CASPT2 excited state H2O(A~)-Ar potential. Collection of Czechoslovak Chemical Communication, 63 (1998) 1321. Abstract. Gzipped PostScript.

31. Gerber, R. B.; Jungwirth, P.; Fredj E.; Rom A. Y.: Quantum molecular dynamics simulations of processes in large clusters: Methods and Applications. in: Modern methods for multidimensional dynamics computations in chemistry, ed. D. L. Thompson, World Scientific, Singapore, NJ, 1998, p. 238. Abstract. Gzipped PostScript.

30. Jungwirth, P.; Schmidt, B.; Moiseyev, N.: Vibrationally resolved spectra from short time quantum molecular dynamics by the Filter-Diagonalization method. Chemical Physics Letters, 280 (1997) 177. Abstract. Gzipped PostScript.

29. Jungwirth, P; Schmidt, B.: Quantum dynamics following electron photodetachment in the I-Ar2 complex: How good are new separable and non-separable simulation methods? Chemical Physics Letters, 275 (1997) 127. Abstract. Gzipped PostScript.

28. Jungwirth, P.; Fredj, E.; Gerber, R. B.: Quantum molecular dynamics of large systems beyond separable approximation: The configuration interaction classical separable potential method. Journal of Chemical Physics, 107 (1997) 8963. Abstract. Gzipped PostScript.

27. Jungwirth, P.; Fredj, E.; Zdanska, P.; Gerber, R. B.: Quantum dynamics of large polyatomic systems using classical separable potentials: The computational implementation. Computers&Chemistry, 21 (1997) 419. Abstract. Gzipped PostScript.

26. Hrouda, V.; Bally, T.; Carsky, P.; Jungwirth, P.: The C4H4+ potential energy surface. 2. The Jahn-Teller stabilization of ionized tetrahedrane and its rearrangement to cyclobutadiene radical cation. Journal of Physical Chemistry A, 101 (1997) 3918. Abstract.

25. Jungwirth, P.: Femtochemistry (in Czech). Vesmir, 76(3) (1997) 136.

24. Schmidt, B.; Jungwirth, P.: Vibrational line shifts of hydrogen halides in a rare gas environment: HF/DF and HCl/DCl in Ar matrices and clusters. Chemical Physics Letters, 259 (1996) 62. Abstract.

23. Schmidt, B.; Jungwirth, P.; Gerber. R. B.: Quantum dynamics of photodissociation of hydrogen halides in rare gas matrices. I. The initial state. in: Femtochemistry, ed. Chergui, M., World Scientific, Singapore, 1996, p. 637. Abstract.

22. Gerber R. B.; Jungwirth, P.; Fredj E.; Krylov A.: Quantum molecular dynamics simulations of processes in many-atom systems. in: Femtochemistry, ed. Chergui, M., World Scientific, Singapore, 1996, p. 166. Abstract.

21. Jungwirth, P.; Fredj, E.; Gerber, R.B.: Ultrafast quantum dynamics and resonance Raman spectroscopy of photoexcited I2(B) in large argon and xenon clusters. Journal of Chemical Physics, 104 (1996) 9332. Abstract.

20. Jungwirth, P.; Gerber, R.B.: Quantum dynamics simulations of nonadiabatic processes in many-atom systems: photoexcited Ba(Ar)10 and Ba(Ar)20 clusters. Journal of Chemical Physics, 104 (1996) 5803. Abstract.

19. Jungwirth, P.; Gerber, R.B.: Quantum dynamics of many-atom systems by the classically based separable potential (CSP) method: calculations for I-(Ar)12 in full dimensionality. Journal of Chemical Physics, 102 (1995) 8855. Abstract.

18. Jungwirth, P.; Gerber, R.B.: Quantum dynamics of large polyatomic systems using a classically based separable potential method. Journal of Chemical Physics, 102 (1995) 6046. Abstract.

17. Roeselova, M.; Bally, T.; Jungwirth, P.; Carsky, P.: Cyclobutadiene radical cation. An ab initio study of the Jahn-Teller surface. Chemical Physics Letters, 234 (1995) 395. Abstract.

16. Jungwirth, P.; Zahradnik, R.: Association and dissociation of nonpolar and polar van der Waals pairs in water. Manifestation of the hydrophobic and hydrophilic effect. Journal of Physical Chemistry, 98 (1994) 1328. Abstract.

15. Zahradnik R; Jungwirth P; Urban J; Polasek M.: Stability of charge-transfer complexes of CS2 with PH3 and its derivatives - ab initio MRSDCI/CASSCF study. Helvetica Chimica Acta, 77 (1994) 1810. Abstract.

14. Jungwirth P; Zahradnik R.: Liquid state processes and computer experiments - from physics to chemistry (in Czech). Chemicke listy, 88 (1994) 69.

13. Jungwirth P; Zahradnik R.: The entropy driven hydrophobic effect as a function of solute solvent interactions - a molecular dynamics study. Chemical Physics Letters, 217 (1994) 319. Abstract.

12. Jungwirth, P.; Zahradnik, R.: Is the water-induced potential of mean torsion of n-butane transferable to longer n-alkanes?. Chemical Physics Letters, 212 (1993) 211. Abstract.

11. Jungwirth, P.; Zahradnik, R.: On the stability of XH3-YH3 charge-transfer complexes (X=B,Al,Ga,In and Y=N, or P for X=B,Al): an ab initio study. THEOCHEM, 102 (1993) 317.

10. Jungwirth, P.; Carsky, P.; Bally, T.: The C4H8+ potential energy surface. I. The cyclobutane radical cation. Journal of the American Chemical Society, 115 (1993) 5776. Abstract.

9. Jungwirth, P.; Bally, T.: The C4H8+ potential energy surface. II. The (C2H2)2+ complex cation and its reaction to the radical cations of cyclobutane and 1-butene. Journal of the American Chemical Society, 115 (1993) 5783. Abstract.

8. Jungwirth, P.; Carsky, P.; Bally, T.: The Jahn-Teller potential energy surface of H4+. Chemical Physics Letters, 195 (1992) 371. Abstract.

7. Gutman I; Todorovic D; Vuckovic M; Jungwirth P.: Modelling spontaneous chiral stereoselection - the Frank mechanism with racemization. Journal of the Chemical Society-Faraday Transactions, 88 (1992) 1123. Abstract.

6. Jungwirth P; Stussi D; Weber J.: Modelization of the protonation of ferrocene using an effective potential parametrized from local-spin density and Hartree-Fock calculations. Chemical Physics Letters, 190 (1992) 29. Abstract.

5. Jungwirth P; Gutman I.: Origin of biomolecular chirality. The Frank model with racemization. Journal of the Serbian Chemical Society, 56 (1991) 253. Abstract.

4. Jungwirth P; Zahradnik R.: CPT theorem in chemistry (in Czech). Chemicke listy, 85 (1991) 562.

3. Skala, L.; Jungwirth, P.: Theory of excitation energy transfer in the primary processes of photosynthesis. II. Group symmetry analysis of the bacterial light-harvesting complex. Chemical Physics, 137 (1989) 93. Abstract.

2. Jungwirth, P.; Skala, L.; Zahradnik, R.: The parity non-conserving energy difference between enantiomers and a consequence of the CPT theorem for molecule-antimolecule pairs. Chemical Physics Letters, 161 (1989) 502. Abstract.

1. Jungwirth, P.; Skala, L.: Exact solution of the Schrodinger equation for the infinite linear chain with a single trap. Physica Status Solidi B, 147 (1988) K149.