Mario Barbatti

Affiliations: 
2010-2015 Max Planck Institute for Coal Research, Mülheim an der Ruhr, Nordrhein-Westfalen, Germany 
 2015- AIx-Marseille Universités, Marseille, Provence-Alpes-Côte d'Azur, France 
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"Mario Barbatti"
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Mukherjee S, Mattos RS, Toldo JM, et al. (2024) Prediction Challenge: Simulating Rydberg photoexcited cyclobutanone with surface hopping dynamics based on different electronic structure methods. The Journal of Chemical Physics. 160
Cabral Tenorio BN, Pedersen J, Barbatti M, et al. (2023) Auger-Meitner and X-ray Absorption Spectra of Ethylene Cation: Insight into Conical Intersection Dynamics. The Journal of Physical Chemistry. A
Dalton J, Toldo JM, Allais F, et al. (2023) Understanding the Impact of Symmetrical Substitution on the Photodynamics of Sinapate Esters Using Gas-Phase Ultrafast Spectroscopy. The Journal of Physical Chemistry Letters. 8771-8779
do Casal MT, Toldo JM, Barbatti M, et al. (2023) Classification of doubly excited molecular electronic states. Chemical Science. 14: 4012-4026
T do Casal M, Toldo JM, Pinheiro M, et al. (2022) Fewest switches surface hopping with Baeck-An couplings. Open Research Europe. 1: 49
Abiola TT, Toldo JM, do Casal MT, et al. (2022) Direct structural observation of ultrafast photoisomerization dynamics in sinapate esters. Communications Chemistry. 5: 141
Braun G, Borges I, Aquino AJA, et al. (2022) Non-Kasha fluorescence of pyrene emerges from a dynamic equilibrium between excited states. The Journal of Chemical Physics. 157: 154305
Barbatti M, Bondanza M, Crespo-Otero R, et al. (2022) Newton-X Platform: New Software Developments for Surface Hopping and Nuclear Ensembles. Journal of Chemical Theory and Computation
do Casal MT, Toldo JM, Plasser F, et al. (2022) Using diketopyrrolopyrroles to stabilize double excitation and control internal conversion. Physical Chemistry Chemical Physics : Pccp
Polak DW, do Casal MT, Toldo JM, et al. (2022) Probing the electronic structure and photophysics of thiophene-diketopyrrolopyrrole derivatives in solution. Physical Chemistry Chemical Physics : Pccp
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