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The Journal of Chemical Physics|August 24, 2013
Electronic states of porphycene-O2 complex and photoinduced singlet O2 productionDavid Asturiol, Mario BarbattiPhysical Chemistry Chemical Physics : PCCP|June 7, 2018
Mechanism of enhanced triplet decay of thionucleobase by glycosylation and rate-modulating strategiesShuming Bai, Mario BarbattiThe Journal of Physical Chemistry. A|March 29, 2007
Can the nonadiabatic photodynamics of aminopyrimidine be a model for the ultrafast deactivation of adenine?Mario Barbatti, Hans LischkaJournal of Chemical Theory and Computation|February 9, 2019
Mechanism of Spin-Exchange Internal Conversion: Practical Proxies for Diabatic and Nonadiabatic CouplingsShuming Bai, Mario BarbattiChemical Reviews|May 17, 2018
Recent Advances and Perspectives on Nonadiabatic Mixed Quantum-Classical DynamicsRachel Crespo-Otero, Mario BarbattiTopics in Current Chemistry|February 25, 2015
Surface Hopping Dynamics with DFT Excited StatesMario Barbatti, Rachel Crespo-OteroThe Journal of Chemical Physics|May 3, 2011
Cr(CO)6 photochemistry: semi-classical study of UV absorption spectral intensities and dynamics of photodissociationRachel Crespo-Otero, Mario BarbattiNature Reviews. Chemistry|April 28, 2023
Molecular excited states through a machine learning lensPavlo O Dral, Mario BarbattiThe Journal of Chemical Physics|July 17, 2009
Dynamics starting at a conical intersection: application to the photochemistry of pyrroleBernhard Sellner, Mario Barbatti, Hans LischkaJournal of the American Chemical Society|March 12, 2016
Unveiling the Role of Hot Charge-Transfer States in Molecular Aggregates via Nonadiabatic DynamicsDaniele Fazzi, Mario Barbatti, Walter ThielPageof 25