| Relaxation mechanisms of UV-photoexcited DNA and RNA nucleobases M Barbatti, AJA Aquino, JJ Szymczak, D Nachtigallová, P Hobza, ... Proceedings of the National Academy of Sciences 107 (50), 21453-21458, 2010 | 479 | 2010 |
| Critical appraisal of excited state nonadiabatic dynamics simulations of 9H-adenine M Barbatti, Z Lan, R Crespo-Otero, JJ Szymczak, H Lischka, W Thiel The Journal of chemical physics 137 (22), 2012 | 132 | 2012 |
| Nonadiabatic dynamics of uracil: Population split among different decay mechanisms D Nachtigallová, AJA Aquino, JJ Szymczak, M Barbatti, P Hobza, ... The Journal of Physical Chemistry A 115 (21), 5247-5255, 2011 | 110 | 2011 |
| Photodynamics simulations of thymine: Relaxation into the first excited singlet state JJ Szymczak, M Barbatti, JT Soo Hoo, JA Adkins, TL Windus, ... The Journal of Physical Chemistry A 113 (45), 12686-12693, 2009 | 107 | 2009 |
| Photodynamical simulations of cytosine: characterization of the ultrafast bi-exponential UV deactivation M Barbatti, AJA Aquino, JJ Szymczak, D Nachtigallova, H Lischka Physical Chemistry Chemical Physics 13 (13), 6145-6155, 2011 | 100 | 2011 |
| Nonadiabatic excited-state dynamics of polar π-systems and related model compounds of biological relevance M Barbatti, M Ruckenbauer, JJ Szymczak, AJA Aquino, H Lischka Physical Chemistry Chemical Physics 10 (4), 482-494, 2008 | 93 | 2008 |
| The decay mechanism of photoexcited guanine− A nonadiabatic dynamics study M Barbatti, JJ Szymczak, AJA Aquino, D Nachtigallová, H Lischka The Journal of chemical physics 134 (1), 2011 | 90 | 2011 |
| COLUMBUS, an ab initio electronic structure program, release 7.0 H Lischka, R Shepard, I Shavitt, RM Pitzer, M Dallos, T Müller, PG Szalay, ... Vienna, AT, 2017 | 60 | 2017 |
| COLUMBUS, an ab initio electronic structure program H Lischka, R Shepard, I Shavitt, RM Pitzer, M Dallos, T Müller, PG Szalay, ... Release 5 (1), 2006 | 50 | 2006 |
| Is the photoinduced isomerization in retinal protonated Schiff bases a single-or double-torsional process? JJ Szymczak, M Barbatti, H Lischka The Journal of Physical Chemistry A 113 (43), 11907-11918, 2009 | 48 | 2009 |
| Adsorption of 2, 4-dinitrotoluene on dickite: The role of H-bonding A Michalkova, JJ Szymczak, J Leszczynski Structural Chemistry 16, 325-337, 2005 | 44 | 2005 |
| H⋯ σ interactions–an ab initio andatoms in molecules' study JJ Szymczak, SJ Grabowski, S Roszak, J Leszczynski Chemical physics letters 393 (1-3), 81-86, 2004 | 38 | 2004 |
| Mechanism of ultrafast photodecay in restricted motions in protonated schiff bases: the pentadieniminium cation JJ Szymczak, M Barbatti, H Lischka Journal of Chemical Theory and Computation 4 (8), 1189-1199, 2008 | 34 | 2008 |
| Influence of the active space on CASSCF nonadiabatic dynamics simulations JJ Szymczak, M Barbatti, H Lischka International Journal of Quantum Chemistry 111 (13), 3307-3315, 2011 | 28 | 2011 |
| The effect of C5 substitution on the photochemistry of uracil D Nachtigallova, H Lischka, JJ Szymczak, M Barbatti, P Hobza, ... Physical Chemistry Chemical Physics 12 (19), 4924-4933, 2010 | 28 | 2010 |
| Structure and dynamics of solvent shells around photoexcited metal complexes JJ Szymczak, FD Hofmann, M Meuwly Physical Chemistry Chemical Physics 15 (17), 6268-6277, 2013 | 26 | 2013 |
| COLUMBUS, an ab initio electronic structure program, release 7.0 (2012) H Lischka, R Shepard, I Shavitt, RM Pitzer, M Dallos, T Müller, PG Szalay, ... There is no corresponding record for this reference, 2015 | 24 | 2015 |
| The photodynamics of 2, 4-diaminopyrimidine in comparison with 4-aminopyrimidine: The effect of amino-substitution D Nachtigallová, M Barbatti, JJ Szymczak, P Hobza, H Lischka Chemical Physics Letters 497 (1-3), 129-134, 2010 | 24 | 2010 |
| The effect of hydration on the photo-deactivation pathways of 4-aminopyrimidine JJ Szymczak, T Müller, H Lischka Chemical physics 375 (1), 110-117, 2010 | 17 | 2010 |
| Interactions in Polymorphic Crystals of m-Nitrophenol as Studied by Variable-Temperature X-ray Diffraction and Quantum Chemical Calculations G Wójcik, J Holband, JJ Szymczak, S Roszak, J Leszczynski Crystal growth & design 6 (1), 274-282, 2006 | 15 | 2006 |