Adsorption of Atmospherically Relevant Gases at the Air/Water Interface: Free Energy Profiles of Aqueous Solvation of N2 , O2 , O3 , OH, H2 O, HO2 , and H2 O2 R Vácha, P Slavíček, M Mucha, BJ Finlayson-Pitts, P Jungwirth
The Journal of Physical Chemistry A 108 (52), 11573-11579, 2004
245 2004 A fully size-resolved perspective on the crystallization of water clusters CC Pradzynski, RM Forck, T Zeuch, P Slavíček, U Buck
Science 337 (6101), 1529-1532, 2012
222 2012 Correlated ab initio study of nucleic acid bases and their tautomers in the gas phase, in a microhydrated environment and in aqueous solution Part 1. Cytosine SA Trygubenko, TV Bogdan, M Rueda, M Orozco, FJ Luque, J Šponer, ...
Physical Chemistry Chemical Physics 4 (17), 4192-4203, 2002
220 2002 State-of-the-art correlated ab initio potential energy curves for heavy rare gas dimers: P Slavı́ček, R Kalus, P Paška, I Odvárková, P Hobza, A Malijevský
The Journal of chemical physics 119 (4), 2102-2119, 2003
219 2003 Ionization energies of aqueous nucleic acids: Photoelectron spectroscopy of pyrimidine nucleosides and ab initio calculations P Slavicek, B Winter, M Faubel, SE Bradforth, P Jungwirth
Journal of the American Chemical Society 131 (18), 6460-6467, 2009
152 2009 Ab initio floating occupation molecular orbital-complete active space configuration interaction: An efficient approximation to CASSCF P Slavíček, TJ Martínez
The Journal of chemical physics 132 (23), 2010
137 2010 On the nature and origin of dicationic, charge-separated species formed in liquid water on X-ray irradiation S Thürmer, M Ončák, N Ottosson, R Seidel, U Hergenhahn, SE Bradforth, ...
Nature Chemistry 5 (7), 590-596, 2013
131 2013 Helquats: a facile, modular, scalable route to novel helical dications L Adriaenssens, L Severa, T Salova, I Cisarova, R Pohl, D Saman, ...
Chemistry-A European Journal 15 (5), 1072-1076, 2009
118 2009 Valence ionization of water clusters: From isolated molecules to bulk S Barth, M Oncák, V Ulrich, M Mucke, T Lischke, P Slavícek, ...
The Journal of Physical Chemistry A 113 (48), 13519-13527, 2009
111 2009 Can electrospray mass spectrometry quantitatively probe speciation? Hydrolysis of uranyl nitrate studied by gas-phase methods NG Tsierkezos, J Roithova, D Schröder, M Oncak, P Slavicek
Inorganic Chemistry 48 (13), 6287-6296, 2009
98 2009 Reversal of Hofmeister Ordering for Pairing of NH4 + vs Alkylated Ammonium Cations with Halide Anions in Water J Heyda, M Lund, M Oncak, P Slavicek, P Jungwirth
The Journal of Physical Chemistry B 114 (33), 10843-10852, 2010
94 2010 Deciphering the structure–property relations in substituted heptamethine cyanines L Stackova, E Muchova, M Russo, P Slavicek, P Stacko, P Klán
The Journal of Organic Chemistry 85 (15), 9776-9790, 2020
89 2020 Modeling photoionization of aqueous DNA and its components E Pluharova, P Slavicek, P Jungwirth
Accounts of Chemical Research 48 (5), 1209-1217, 2015
89 2015 Oxidation half-reaction of aqueous nucleosides and nucleotides via photoelectron spectroscopy augmented by ab initio calculations CA Schroeder, E Pluharova, R Seidel, WP Schroeder, M Faubel, ...
Journal of the American Chemical Society 137 (1), 201-209, 2015
86 2015 Ionization of purine tautomers in nucleobases, nucleosides, and nucleotides: from the gas phase to the aqueous environment E Pluharova, P Jungwirth, SE Bradforth, P Slavicek
The Journal of Physical Chemistry B 115 (5), 1294-1305, 2011
84 2011 Ionization of imidazole in the gas phase, microhydrated environments, and in aqueous solution B Jagoda-Cwiklik, P Slavíček, L Cwiklik, D Nolting, B Winter, ...
The Journal of Physical Chemistry A 112 (16), 3499-3505, 2008
82 2008 Intense chiroptical switching in a dicationic helicene-like derivative: exploration of a viologen-type redox manifold of a non-racemic helquat L Pospíšil, L Bednárová, P Štěpánek, P Slavíček, J Vávra, ...
Journal of the American Chemical Society 136 (31), 10826-10829, 2014
79 2014 Can theory quantitatively model stratospheric photolysis? Ab initio estimate of absolute absorption cross sections of ClOOCl M Ončák, L Šištík, P Slavíček
The Journal of chemical physics 133 (17), 2010
73 2010 Real-time observation of water radiolysis and hydrated electron formation induced by extreme-ultraviolet pulses V Svoboda, R Michiels, AC LaForge, F Stienkemeier, P Slavíček, ...
Science advances 6 (3), eaaz0385, 2020
72 2020 Nonadiabatic ab initio molecular dynamics with the floating occupation molecular orbital-complete active space configuration interaction method D Hollas, L Sistik, EG Hohenstein, TJ Martinez, P Slavicek
Journal of Chemical Theory and Computation 14 (1), 339-350, 2018
71 2018 
Bernd WinterFritz-Haber-Institut der Max-Planck-GesellschaftE-mail confirmado em fhi-berlin.mpg.de
