Publikationen von M. Barbatti
Alle Typen
Zeitschriftenartikel (54)
2011
Zeitschriftenartikel
Barbatti, M.; ; ; ; Photodynamical simulations of cytosine: characterization of the ultrafast bi-exponential UV deactivation. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 2011, 13, 6145–6155.
Zeitschriftenartikel
Barbatti, M.; ; ; ; The decay mechanism of photoexcited guanine - A nonadiabatic dynamics study. JOURNAL OF CHEMICAL PHYSICS 2011, 134, 014304.
Zeitschriftenartikel
Barbatti, M.; Ionization potentials of adenine along the internal conversion pathways. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 2011, 13, 15492–15500.
Zeitschriftenartikel
Barbatti, M. Cr(CO)(6) photochemistry: Semi-classical study of UV absorption spectral intensities and dynamics of photodissociation. Journal of Chemical Physics 2011, 134, 164305.
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Zeitschriftenartikel
Barbatti, M.; ; ; Ultrafast Dynamics of UV-Excited Imidazole. CHEMPHYSCHEM 2011, 12, 3365–3375.
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Zeitschriftenartikel
Barbatti, M.; ; Nonadiabatic Dynamics of Uracil: Population Split among Different Decay Mechanisms. Journal of Physical Chemistry A 2011, 115, 5247–5255.
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Zeitschriftenartikel
Barbatti, M.; Nonadiabatic Molecular Dynamics Study of the cis-trans Photoisomerization of Azobenzene Excited to the S(1) State. Journal of Physical Chemistry A 2011, 115, 11136–11143.
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Zeitschriftenartikel
Barbatti, M.; Theoretical study of the excitation spectrum of azomethane. Chemical Physics 2011, 380, 9–16.
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Zeitschriftenartikel
Barbatti, M.; Influence of the Active Space on CASSCF Nonadiabatic Dynamics Simulations. International Journal of Quantum Chemistry 2011, 111, 3307–3315.
; 2010
Zeitschriftenartikel
Barbatti, M. C.; ; ; ; ; Relaxation mechanisms of UV-photoexcited DNA and RNA nucleobases. Proceedings of the National Academy of Sciences of the United States of America 2010, 107, 21453–21458.
Zeitschriftenartikel
Barbatti, M.; ; ; ; ; ; Non-adiabatic dynamics of pyrrole: Dependence of deactivation mechanisms on the excitation energy. Chemical Physics 2010, 375, 26–34.
Zeitschriftenartikel
Barbatti, M.; ; ; The photodynamics of 2,4-diaminopyrimidine in comparison with 4-aminopyrimidine: The effect of amino-substitution. Chemical Physics Letters 2010, 497, 129–134.
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Zeitschriftenartikel
Barbatti, M.; ; Does Stacking Restrain the Photodynamics of Individual Nucleobases? Journal of the American Chemical Society 2010, 132, 8261–8263.
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Zeitschriftenartikel
Barbatti, M.; ; ; Azomethane: Nonadiabatic Photodynamical Simulations in Solution. Journal of Physical Chemistry A 2010, 114, 12585–12590.
; Buch (1)
2015
Buch
Photoinduced Phenomena in Nucleic Acids II: DNA Fragments and Phenomenological Aspects; Barbatti, M., , , Hrsg.; Topics in Current Chemistry; Springer International Publishing: Switzerland, 2015; Bd. 356.
Buchkapitel (4)
2016
Buchkapitel
Barbatti, M.; Surface Hopping Dynamics with DFT Excited States; , , , Hrsg.; , , , Hrsg.; Topics in Current Chemistry; Springer International Publishing: Cham, 2016; Bd. 368, S 415–444.
2015
Buchkapitel
Barbatti, M.; ; Photoinduced processes in nucleic acids. In Photoinduced Phenomena in Nucleic Acids I; Topics in Current Chemistry, Vol. 355: Photoinduced Phenomena in Nucleic Acids I; Springer International Publishing: Switzerland, 2015; Bd. 355, S 1–32.
2012
Buchkapitel
Barbatti, M.; ; ; ; ; ; ; Model Systems for Dynamics of π-Conjugated Biomolecules in Excited States. In Handbook of Computational Chemistry; , Hrsg.; , Hrsg.; Springer Science+Business Media B.V.: Dordrecht, 2012; Bd. 3, S 1175–1213.
2011
Buchkapitel
Barbatti, M.; ; Computational and Methodological Elements for Nonadiabatic Trajectory Dynamics Simulations of Molecules. In Conical Intersections: Theory, Computation and Experiment; , , , Hrsg.; , , , Hrsg.; Advanced Series in Physical Chemistry; World Scientific Publishing: Singapore, 2011; S 415–462.
Konferenzband (1)
2012
Konferenzband
Barbatti, M.; Cis-trans photoisomerization of azobenzene upon excitation to the S1 state: an ab initio molecular dynamics and QM/MM study; , , Hrsg.; 2012; Bd. 8463, S 846318.
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