Publications of M. Barbatti
All genres
Journal Article (54)
2011
Journal Article
Barbatti, M.; ; ; ; Photodynamical Simulations of Cytosine: Characterization of the Ultrafast Bi-Exponential UV Deactivation. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 2011, 13, 6145–6155.
Journal Article
Barbatti, M.; ; ; ; The Decay Mechanism of Photoexcited Guanine - A Nonadiabatic Dynamics Study. JOURNAL OF CHEMICAL PHYSICS 2011, 134, 014304.
Journal Article
Barbatti, M.; Ionization Potentials of Adenine Along the Internal Conversion Pathways. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 2011, 13, 15492–15500.
Journal Article
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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Journal Article
Barbatti, M.; ; ; Ultrafast Dynamics of UV-Excited Imidazole. CHEMPHYSCHEM 2011, 12, 3365–3375.
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Journal Article
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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Journal Article
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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Journal Article
Barbatti, M.; Theoretical Study of the Excitation Spectrum of Azomethane. Chemical Physics 2011, 380, 9–16.
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Journal Article
Barbatti, M.; Influence of the Active Space on CASSCF Nonadiabatic Dynamics Simulations. International Journal of Quantum Chemistry 2011, 111, 3307–3315.
; 2010
Journal Article
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.
Journal Article
Barbatti, M.; ; ; ; ; ; Non-Adiabatic Dynamics of Pyrrole: Dependence of Deactivation Mechanisms on the Excitation Energy. Chemical Physics 2010, 375, 26–34.
Journal Article
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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Journal Article
Barbatti, M.; ; Does Stacking Restrain the Photodynamics of Individual Nucleobases? Journal of the American Chemical Society 2010, 132, 8261–8263.
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Journal Article
Barbatti, M.; ; ; Azomethane: Nonadiabatic Photodynamical Simulations in Solution. Journal of Physical Chemistry A 2010, 114, 12585–12590.
; Book (1)
2015
Book
Photoinduced Phenomena in Nucleic Acids II: DNA Fragments and Phenomenological Aspects; Barbatti, M., , , Eds.; Topics in Current Chemistry; Springer International Publishing: Switzerland, 2015; Vol. 356.
Book Chapter (4)
2016
Book Chapter
Barbatti, M.; Surface Hopping Dynamics with DFT Excited States; , , , Eds.; , , , Series Eds.; Topics in Current Chemistry; Springer International Publishing: Cham, 2016; Vol. 368, pp 415–444.
2015
Book Chapter
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; Vol. 355, pp 1–32.
2012
Book Chapter
Barbatti, M.; ; ; ; ; ; ; Model Systems for Dynamics of π-Conjugated Biomolecules in Excited States. In Handbook of Computational Chemistry; , Ed.; , Series ed.; Springer Science+Business Media B.V.: Dordrecht, 2012; Vol. 3, pp 1175–1213.
2011
Book Chapter
Barbatti, M.; ; Computational and Methodological Elements for Nonadiabatic Trajectory Dynamics Simulations of Molecules. In Conical Intersections: Theory, Computation and Experiment; , , , Eds.; , , , Series Eds.; Advanced Series in Physical Chemistry; World Scientific Publishing: Singapore, 2011; pp 415–462.
Proceedings (1)
2012
Proceedings
Barbatti, M.; Cis-Trans Photoisomerization of Azobenzene Upon Excitation to the S1 State: an Ab Initio Molecular Dynamics and QM/MM Study; , , Series Eds.; 2012; Vol. 8463, p 846318.
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