Publikationen
Zeitschriftenartikel (12)
2011
Zeitschriftenartikel
Barbatti, M. Excited-State Intermolecular Proton Transfer Reactions of 7-Azaindole(MeOH)n (n = 1 - 3) Clusters in the Gas phase: On-the-Fly Dynamics Simulation. The Journal of Physical Chemistry A 2011, 115, 14129–14136.
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Zeitschriftenartikel
Barbatti, M. Nonadiabatic dynamics with trajectory surface hopping method. WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE 2011, 1, 620–633.
Zeitschriftenartikel
Barbatti, M. The role of tautomers in the UV absorption of urocanic acid. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 2011, 13, 4686–4692.
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.
; Buchkapitel (1)
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.