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Mario Barbatti

Showing results (61-70 of 158) with videos related to

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Physical Chemistry Chemical Physics : PCCP|June 3, 2025
Photophysics of resveratrol derivatives for singlet oxygen formationMariana Yoshinaga, Josene M Toldo, Willian R Rocha, et al.
The Journal of Physical Chemistry. A|November 13, 2010
Azomethane: nonadiabatic photodynamical simulations in solutionMatthias Ruckenbauer, Mario Barbatti, Bernhard Sellner, et al.
The Journal of Chemical Physics|December 4, 2025
Ehrenfest dynamics with spontaneous localizationAnderson A Tomaz, Rafael S Mattos, Saikat Mukherjee, et al.
The Journal of Physical Chemistry. A|September 15, 2022
Trajectory Surface Hopping for a Polarizable Embedding QM/MM FormulationMattia Bondanza, Baptiste Demoulin, Filippo Lipparini, et al.
The Journal of Physical Chemistry. A|July 4, 2009
Excited-state diproton transfer in [2,2'-bipyridyl]-3,3'-diol: the mechanism is sequential, not concertedFelix Plasser, Mario Barbatti, Adélia J A Aquino, et al.
Angewandte Chemie (International Ed. in English)|June 21, 2013
Photochemical steps in the prebiotic synthesis of purine precursors from HCNEliot Boulanger, Anakuthil Anoop, Dana Nachtigallova, et al.
The Journal of Physical Chemistry. A|January 12, 2007
An ab initio study of the excited States, isomerization energy profiles and conical intersections of a chiral cyclohexylidene derivativeMarko Schreiber, Mario Barbatti, Shmuel Zilberg, et al.
The Journal of Physical Chemistry Letters|March 7, 2019
Promoting Intersystem Crossing of a Fluorescent Molecule via Single Functional Group ModificationRan Liu, Xing Gao, Mario Barbatti, et al.
Chemical Science|December 9, 2021
Choosing the right molecular machine learning potentialMax Pinheiro, Fuchun Ge, Nicolas Ferré, et al.
The Journal of Chemical Physics|November 1, 2024
A simple approach to rotationally invariant machine learning of a vector quantityJakub Martinka, Marek Pederzoli, Mario Barbatti, et al.
Pageof 16

Showing results (61-70 of 158) with videos related to

Sort By:
Pageof 16
Physical Chemistry Chemical Physics : PCCP|June 3, 2025
Photophysics of resveratrol derivatives for singlet oxygen formationMariana Yoshinaga, Josene M Toldo, Willian R Rocha, et al.
The Journal of Physical Chemistry. A|November 13, 2010
Azomethane: nonadiabatic photodynamical simulations in solutionMatthias Ruckenbauer, Mario Barbatti, Bernhard Sellner, et al.
The Journal of Chemical Physics|December 4, 2025
Ehrenfest dynamics with spontaneous localizationAnderson A Tomaz, Rafael S Mattos, Saikat Mukherjee, et al.
The Journal of Physical Chemistry. A|September 15, 2022
Trajectory Surface Hopping for a Polarizable Embedding QM/MM FormulationMattia Bondanza, Baptiste Demoulin, Filippo Lipparini, et al.
The Journal of Physical Chemistry. A|July 4, 2009
Excited-state diproton transfer in [2,2'-bipyridyl]-3,3'-diol: the mechanism is sequential, not concertedFelix Plasser, Mario Barbatti, Adélia J A Aquino, et al.
Angewandte Chemie (International Ed. in English)|June 21, 2013
Photochemical steps in the prebiotic synthesis of purine precursors from HCNEliot Boulanger, Anakuthil Anoop, Dana Nachtigallova, et al.
The Journal of Physical Chemistry. A|January 12, 2007
An ab initio study of the excited States, isomerization energy profiles and conical intersections of a chiral cyclohexylidene derivativeMarko Schreiber, Mario Barbatti, Shmuel Zilberg, et al.
The Journal of Physical Chemistry Letters|March 7, 2019
Promoting Intersystem Crossing of a Fluorescent Molecule via Single Functional Group ModificationRan Liu, Xing Gao, Mario Barbatti, et al.
Chemical Science|December 9, 2021
Choosing the right molecular machine learning potentialMax Pinheiro, Fuchun Ge, Nicolas Ferré, et al.
The Journal of Chemical Physics|November 1, 2024
A simple approach to rotationally invariant machine learning of a vector quantityJakub Martinka, Marek Pederzoli, Mario Barbatti, et al.
Pageof 16