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Jaroslaw J Szymczak
Jaroslaw J Szymczak
Non-affiliated
Verified email at rd.nestle.com
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Cited by
Year
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
4402010
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
1212012
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
1032011
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
1032009
Photodynamical simulations of cytosine: characterization of the ultrafast bi-exponential UV deactivation
M Barbatti, AJA Aquino, JJ Szymczak, D Nachtigallová, H Lischka
Physical Chemistry Chemical Physics 13 (13), 6145-6155, 2011
972011
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
872008
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
842011
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
492006
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
482017
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
452009
Adsorption of 2, 4-dinitrotoluene on dickite: The role of H-bonding
A Michalkova, JJ Szymczak, J Leszczynski
Structural Chemistry 16, 325-337, 2005
442005
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
372004
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
322008
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
252013
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
252011
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
242010
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, ...
Google Scholar There is no corresponding record for this reference, 2015
232015
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
222010
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
172010
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
152006
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