Search Results - Mario Barbatti

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  1. 1
    Classification of doubly excited molecular electronic states

    Classification of doubly excited molecular electronic states by Mariana Telles do Casal, Josene M Toldo, Mario Barbatti, Felix Plasser

    Published 2023
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  2. 2
    Nonadiabatic dynamics of cycloparaphenylenes with TD-DFTB surface hopping

    Nonadiabatic dynamics of cycloparaphenylenes with TD-DFTB surface hopping by Ljiljana Stojanovic, Saadullah G. Aziz, Rifaat H. Hilal, Felix Plasser, Thomas A. Niehaus, Mario Barbatti

    Published 2017
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  3. 3
    Dynamics of benzene excimer formation from the parallel-displaced dimer

    Dynamics of benzene excimer formation from the parallel-displaced dimer by Thiago M. Cardozo, Andre P. Galliez, Itamar Borges, Felix Plasser, Adelia J. Aquino, Mario Barbatti, Hans Lischka

    Published 2018
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  4. 4
    Multireference approaches for excited states of molecules

    Multireference approaches for excited states of molecules by Hans Lischka, Dana Nachtigallova, Adelia J. A. Aquino, Peter G. Szalay, Felix Plasser, Francisco B.C. Machado, Mario Barbatti

    Published 2018
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  5. 5
    Non-Kasha fluorescence of pyrene emerges from a dynamic equilibrium between excited states

    Non-Kasha fluorescence of pyrene emerges from a dynamic equilibrium between excited states by Gabriel Braun, Itamar Borges Jr., Adelia Aquino, Hans Lischka, Felix Plasser, Silmar Andrade do Monte, Elizete Ventura, Saikat Mukherjee, Mario Barbatti

    Published 2022
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  6. 6
    Newton-X platform: new software developments for surface hopping and nuclear ensembles

    Newton-X platform: new software developments for surface hopping and nuclear ensembles by Mario Barbatti, Mattia Bondanza, Rachel Crespo-Otero, Baptiste Demoulin, Pavlo O Dral, Giovanni Granucci, Fábris Kossoski, Hans Lischka, Benedetta Mennucci, Saikat Mukherjee, Marek Pederzoli, Maurizio Persico, Max Pinheiro Jr, Jirí̌ Pittner, Felix Plasser, Eduarda Sangiogo Gil, Ljiljana Stojanovic

    Published 2022
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  7. 7
    The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry

    The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry by Hans Lischka, Ron Shepard, Thomas Müller, Péter G Szalay, Russell M Pitzer, Adelia JA Aquino, Mayzza M Araújo do Nascimento, Mario Barbatti, Lachlan T Belcher, Jean-Philippe Blaudeau, Itamar Borges, Scott R Brozell, Emily A Carter, Anita Das, Gergely Gidofalvi, Leticia González, William L Hase, Gary Kedziora, Miklos Kertesz, Fábris Kossoski, Francisco BC Machado, Spiridoula Matsika, Silmar A do Monte, Dana Nachtigallová, Reed Nieman, Markus Oppel, Carol A Parish, Felix Plasser, Rene FK Spada, Eric A Stahlberg, Elizete Ventura, David R Yarkony, Zhiyong Zhang

    Published 2020
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