Publikationen
Zeitschriftenartikel (9)
2012
Zeitschriftenartikel
Barbatti, M.; ; Electronic spectra of nitroethylene. International Journal of Quantum Chemistry 2012, 112, 1225–1232.
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Zeitschriftenartikel
Barbatti, M.; ; Crespo Otero, R.; ; ; Thiel, W. Critical Appraisal of Excited-State Nonadiabatic Dynamics Simulations of 9H-Adenine. The Journal of Chemical Physics 2012, 137, 1–14.
Zeitschriftenartikel
Barbatti, M. C.; Does the H+5 hydrogen cluster exist in dense interstellar clouds? International Journal of Quantum Chemistry 2012, 112, 3169–3173.
Zeitschriftenartikel
Crespo-Otero, R.; Barbatti, M. C. Spectrum simulation and decomposition with nuclear ensemble: formal derivation and application to benzene, furan and 2-phenylfuran. Theoretical Chemistry Accounts 2012, 131, 1237.
Zeitschriftenartikel
Barbatti, M. C.; ; ; ; ; ; Experimental and theoretical investigations on photoabsorption and photoionization of trimethylphosphate in the vacuum-ultraviolet energy range. The Journal of Chemical Physics 2012, 137, 184305.
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Zeitschriftenartikel
Barbatti, M. C.; ; The effect of Hydrogen Bonding on the Excited-State Proton Transfer in 2,(2'-hydroxyphenyl)benzothiazole: a TDDFT molecular dynamics study. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 2012, 14, 9016–9025.
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Zeitschriftenartikel
Barbatti, M. C. Theoretical Characterization of Absorption and Emission Spectra of an Asymmetric Porphycene. The Journal of Physical Chemistry A 2012, 116, 336–3376.
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Zeitschriftenartikel
Barbatti, M. C.; ; Electronically excited states and photodynamics: a continuing challenge. Theoretical Chemistry Accounts 2012, 131, 1073.
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Zeitschriftenartikel
Barbatti, M.; ; Surface hopping dynamics using a locally diabatic formalism: Charge transfer in the ethylene dimer cation and excited state dynamics in the 2-pyridone dimer. The Journal of Chemical Physics 2012, 137, 22A514.
; ; ; Buchkapitel (1)
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.
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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