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  1. Title: Atomistic Simulations of Reactive Processes in the Gas- and Condensed-Phase
    Author(s): Cazade, P-A; Huang, J; Yosa, J; Szymczak, JJ;Meuwly, M
    Source: INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY Volume: xxx Issue: xxx Pages: xxx-xxx Accepted: 2012

  2. Title: Non-Adiabatic Dynamics of Uracil: Population Split Among Different Decay Mechanisms
    Author(s): Nachtigalova, D; Aquino, AJA; Szymczak, JJ; Barbatti, M; Hobza, P; Lischka, H
    Source: JOURNAL OF PHYSICAL CHEMISTRY A Volume: 115 Issue: 21 Pages: 5247-5255 Published: 2011

  3. Title: Photodynamical simulations of cytosine: characterization of the ultra fast bi-exponential UV deactivaction
    Author(s): Barbatti, M; Aquino, AJA; Szymczak, JJ; Nachtigalova, D; Lischka, H
    Source: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Volume: 13 Issue: 13 Pages: 6145-6155 Published: 2011

  4. Title: The Decay Mechanism of Photo-excited Guanine - A Nonadiabatic Dynamics Study
    Author(s): Barbatti, M; Szymczak, JJ; Aquino, AJA; Nachtigalova, D; Lischka, H
    Source: JOURNAL OF CHEMICAL PHYSICS Volume: 134 Issue: 1 Pages: 014304 Published: 2011

  5. Title: Influence of the active space on CASSCF nonadiabatic dynamics simulations
    Author(s): Szymczak, JJ; Barbatti, M; Lischka, H
    Source: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY Volume: 111 Issue: 13 Pages: 3307-3315 Published: 2011 (online 18 Jan)
    NOTE -  MARIO BARBATTI IS ALSO CORRESPONDING AUTHOR - mistake was only not corrected in PDF

  6. Title: Relaxation mechanisms of UV-photoexcited DNA and RNA nucleobases
    Author(s): Barbatti, M; Aquino, AJA; Szymczak, JJ; Nachtigalova, D; Hobza, P; Lischka, H
    Source: PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES Volume: 107 Issue: 50 Pages: 21453-21458 Published: 2010

  7. Title: The effect of hydration on the photodeactivation pathways of 4-aminopyrimidine
    Author(s): Szymczak, JJ; Muller T; Lischka, H
    Source: CHEMICAL PHYSICS Volume: 375 Issue: 1 Pages: 110-117 Published: 2010
  8. Title: The photodynamics of 2,4-diaminopyrimidine in comparison with 4-aminopyrimidine: The effect of aminosubstitution
    Author(s): Nachtigalova, D; Barbatti, M; Szymczak, JJ; Hobza, P; Lischka, H
    Source: CHEMICAL PHYSICS LETTERS Volume: 497 Issue: 1-3 Pages: 129-134 Published: 2010

  9. Title: The effects of C5 substitution on the photochemistry of uracil
    Author(s): Nachtigalova, D; Lischka, H; Szymczak, JJ; Barbatti, M; Hobza, P; Gengeliczki, Z; Pino, G; Callahan, MP; de Vries MS
    Source: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Volume: 12 Issue: 19 Pages: 4924-4933 Published: 2010

  10. Title: Photodynamics simulations of thymine: relaxation into the first excited singlet state
    Author(s): Szymczak, JJ; Barbatti, M; Soohoo, J; Adkins, J; Windus, T; Nachtigalova, D; Lischka, H
    Source: JOURNAL OF PHYSICAL CHEMISTRY A Volume: 113 Issue: 45 Pages: 12686-12693 Published: 2009

  11. Title: Is the photo-induced isomerization in retinal protonated Schiff base a single- or double-torsional process?
    Author(s): Szymczak, JJ; Barbatti, M; Lischka, H
    Source: JOURNAL OF PHYSICAL CHEMISTRY A Volume: 113 Issue: 43 Pages: 11907-11918 Published: 2009

  12. Title: The mechanism of ultra-fast photodecay in restricted motions in protonated Schiff bases: the pentadieniminium cation
    Author(s): Szymczak, JJ; Barbatti, M; Lischka, H
    Source: JOURNAL OF CHEMICAL THEORY AND COMPUTATION Volume: 4 Issue: 8 Pages: 1189-1199 Published: 2008

  13. Title: Nonadiabatic excited-state dynamics of polar pi-systems and related model compounds of biological relevance
    Author(s): Barbatti, M; Ruckenbauer, M; Szymczak, JJ; Aquino, AJA; Lischka, H
    Source: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Volume: 10 Pages: 482-494 Published: 2008

  14. Title: The nature of variations of ammonia proton affinity in an argon environment
    Author(s): Szymczak, JJ; Urban, J; Roszak, S; Leszczynski, J
    Source: JOURNAL OF PHYSICAL CHEMISTRY A Volume: 110 Issue: 48 Pages: 13099-13105 Published: 2006

  15. Title: Proton bound open shell systems - theoretical studies on O2H+(O-2)(n) (n=1-6) complexes
    Author(s): Szymczak, JJ; Gora, RW; Roszak, S; Majumdar, D; Wang, J; Grabowski, SJ; Leszczynski, J
    Source: MOLECULAR PHYSICS Volume: 104 Issue: 13-14 Pages: 2327-2336 Published: 2006

  16. Title: Interactions in polymorphic crystals of m-nitrophenol as studied by variable-temperature X-ray diffraction and quantum chemical calculations
    Author(s): Wojcik, G; Holband, J; Szymczak, JJ; Roszak, S; Leszczynski, J
    Source: CRYSTAL GROWTH & DESIGN Volume: 6 Issue: 1 Pages: 274-282 Published: 2006

  17. Title: The chemistry of lithium-modified carbonium cations
    Author(s): Szymczak, JJ; Roszak, S; Skowronski; Leszczynski, J.
    Source: MOLECULAR PHYSICS Volume: 103 Issue: 15-16 Pages: 2215-2222 Published: 2005

  18. Title: Adsorption of 2,4-dinitrotoluene on dickite: The role of H-bonding
    Author(s): Michalkova, A; Szymczak, JJ; Leszczynski, J
    Source: STRUCTURAL CHEMISTRY Volume: 16 Issue: 3 Pages: 325-337 Published: 2005

  19. Title: Structures and energetics of extended proton-bound N2H+-He-n (n=1-17) complexes
    Author(s): Sheng, YH; Roszak, S; Szymczak, JJ; Leszczynski, J
    Source: MOLECULAR PHYSICS Volume: 103 Issue: 6-8 Pages: 1091-1098 Published: 2005

  20. Title: The effect of electron detachment on the structure and properties of the chlorine-acetonitrile anionic complex
    Author(s): Rode, MF; Roszak, S; Szymczak, JJ; Sadlej J; Leszczynski, J
    Source: JOURNAL OF CHEMICAL PHYSICS Volume: 121 Issue: 13 Pages: 6277-6281 Published: 2004

  21. Title: The Li+ cation - The descendant of H+ or an ancestor of Na+? The properties of Li+Arn (n=1-6) clusters
    Author(s): Szymczak, JJ; Giju, KT; Roszak, S; Leszczynski, J
    Source: JOURNAL OF PHYSICAL CHEMISTRY A Volume: 108 Issue: 31 Pages: 6570-6574 Published: 2004

  22. Title: H-...sigma interactions - an ab initio and 'atoms in molecules' study
    Author(s): Szymczak, JJ; Grabowski, SJ; Roszak, S; Leszczynski, J
    Source: CHEMICAL PHYSICS LETTERS Volume: 393 Issue: 1-3 Pages: 81-86 Published: 2004

  23. Title: Molecular properties of protonated homogeneous and mixed carbon oxide and carbon dioxide clusters
    Author(s): Szymczak, JJ; Roszak, S; Gora, RW; Leszczynski, J
    Source: JOURNAL OF CHEMICAL PHYSICS Volume: 119 Issue: 13 Pages: 6560-6570 Published: 2003
 
Book Chapters PDF Print E-mail
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Thursday, 29 July 2010 07:53
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  • Title: Model Systems for Dynamics of pi-Conjugated Biomolecules in Excited States
    Author(s): M. Barbatti, M. Ruckenbauer, J. J. Szymczak, B. Sellner, M. Vazdar, I. Antol, M. Eckert-Maksic, and H. Lischka
    in J. Leszczynski (ed.), Handbook of Computational Chemistry, DOI 10.1007/978-94-007-0711-5_33, © Springer-Verlag Berlin Heidelberg 2011
    		•
    Last Updated on Monday, 19 September 2011 05:28
     

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