Publikationen von M. Barbatti
Alle Typen
Zeitschriftenartikel (54)
2011
Zeitschriftenartikel
13, S. 6145 - 6155 (2011)
Photodynamical simulations of cytosine: characterization of the ultrafast bi-exponential UV deactivation. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Zeitschriftenartikel
134, 014304 (2011)
The decay mechanism of photoexcited guanine - A nonadiabatic dynamics study. JOURNAL OF CHEMICAL PHYSICS
Zeitschriftenartikel
13, S. 15492 - 15500 (2011)
Ionization potentials of adenine along the internal conversion pathways. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Zeitschriftenartikel
134, 164305 (2011)
Cr(CO)(6) photochemistry: Semi-classical study of UV absorption spectral intensities and dynamics of photodissociation. Journal of Chemical Physics
Zeitschriftenartikel
12, S. 3365 - 3375 (2011)
Ultrafast Dynamics of UV-Excited Imidazole. CHEMPHYSCHEM
Zeitschriftenartikel
115, S. 5247 - 5255 (2011)
Nonadiabatic Dynamics of Uracil: Population Split among Different Decay Mechanisms. Journal of Physical Chemistry A
Zeitschriftenartikel
115, S. 11136 - 11143 (2011)
Nonadiabatic Molecular Dynamics Study of the cis-trans Photoisomerization of Azobenzene Excited to the S(1) State. Journal of Physical Chemistry A
Zeitschriftenartikel
380, S. 9 - 16 (2011)
Theoretical study of the excitation spectrum of azomethane. Chemical Physics
Zeitschriftenartikel
111, S. 3307 - 3315 (2011)
Influence of the Active Space on CASSCF Nonadiabatic Dynamics Simulations. International Journal of Quantum Chemistry 2010
Zeitschriftenartikel
107 (50), S. 21453 - 21458 (2010)
Relaxation mechanisms of UV-photoexcited DNA and RNA nucleobases. Proceedings of the National Academy of Sciences of the United States of America
Zeitschriftenartikel
375, S. 26 - 34 (2010)
Non-adiabatic dynamics of pyrrole: Dependence of deactivation mechanisms on the excitation energy. Chemical Physics
Zeitschriftenartikel
497, S. 129 - 134 (2010)
The photodynamics of 2,4-diaminopyrimidine in comparison with 4-aminopyrimidine: The effect of amino-substitution. Chemical Physics Letters
Zeitschriftenartikel
132, S. 8261 - 8263 (2010)
Does Stacking Restrain the Photodynamics of Individual Nucleobases? Journal of the American Chemical Society
Zeitschriftenartikel
114, S. 12585 - 12590 (2010)
Azomethane: Nonadiabatic Photodynamical Simulations in Solution. Journal of Physical Chemistry A Buch (1)
2015
Buch
Photoinduced Phenomena in Nucleic Acids II: DNA Fragments and Phenomenological Aspects. Springer International Publishing, Switzerland (2015), 280 S.
Buchkapitel (4)
2016
Buchkapitel
368, S. 415 - 444 (Hg. Ferré, N.; Filatov, M.; Huix-Rotllant, M.). Springer International Publishing, Cham (2016)
Surface Hopping Dynamics with DFT Excited States. In: Topics in Current Chemistry, Bd. 2015
Buchkapitel
355, S. 1 - 32. Springer International Publishing, Switzerland (2015)
Photoinduced processes in nucleic acids. In: Topics in Current Chemistry, Vol. 355: Photoinduced Phenomena in Nucleic Acids I, Bd. 2012
Buchkapitel
3, S. 1175 - 1213 (Hg. Leszczynski, J.). Springer Science+Business Media B.V., Dordrecht (2012)
Model Systems for Dynamics of π-Conjugated Biomolecules in Excited States. In: Handbook of Computational Chemistry, Bd. 2011
Buchkapitel
Computational and Methodological Elements for Nonadiabatic Trajectory Dynamics Simulations of Molecules. In: Conical Intersections: Theory, Computation and Experiment, S. 415 - 462 (Hg. Domcke, W.; Yarkony , D. R.; Köppel, H.). World Scientific Publishing, Singapore (2011)
Konferenzband (1)
2012
Konferenzband
Cis-trans photoisomerization of azobenzene upon excitation to the S1 state: an ab initio molecular dynamics and QM/MM study (Proc. SPIE, 8463). Nanoengineering: Fabrication, Properties, Optics, and Devices IX, San Diego, 12. August 2012. (2012)