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Journal of Computational Chemistry
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March 24, 2025
Foreword to the Special Issue for Hans Lischka
Adelia J A Aquino, Mario Barbatti, Peter G Szalay, et al.
Open Research Europe
|
August 30, 2023
Fewest switches surface hopping with Baeck-An couplings
Mariana T do Casal, Josene M Toldo, Max Pinheiro, et al.
The Journal of Physical Chemistry Letters
|
May 7, 2026
The Hidden Routes of DNA Photostability: Charge and Proton Transfer in Excited Cytosine-Guanine Tetramers
Juliana G de Abrantes, Josene M Toldo, Mario Barbatti, et al.
The Journal of Chemical Physics
|
April 16, 2024
Prediction Challenge: Simulating Rydberg photoexcited cyclobutanone with surface hopping dynamics based on different electronic structure methods
Saikat Mukherjee, Rafael S Mattos, Josene M Toldo, et al.
Chemical Science
|
September 30, 2017
The photophysics of naphthalene dimers controlled by sulfur bridge oxidation
Clàudia Climent, Mario Barbatti, Michael O Wolf, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
September 4, 2015
Excited-State Proton Transfer Can Tune the Color of Protein Fluorescent Markers
Daiana T Mancini, Kakali Sen, Mario Barbatti, et al.
The Journal of Physical Chemistry. A
|
April 4, 2020
Nonadiabatic Dynamics of Charge-Transfer States Using the Anthracene-Tetracyanoethylene Complex as a Prototype
Farhan Siddique, Mario Barbatti, Zhonghua Cui, et al.
Journal of Chemical Theory and Computation
|
June 28, 2019
Ultrafast Photoinduced Dynamics of 1,3-Cyclohexadiene Using XMS-CASPT2 Surface Hopping
Iakov Polyak, Lewis Hutton, Rachel Crespo-Otero, et al.
Journal of Chemical Theory and Computation
|
January 11, 2024
Recommendations for Velocity Adjustment in Surface Hopping
Josene M Toldo, Rafael S Mattos, Max Pinheiro, et al.
The Journal of Physical Chemistry. A
|
December 22, 2023
Auger-Meitner and X-ray Absorption Spectra of Ethylene Cation: Insight into Conical Intersection Dynamics
Bruno Nunes Cabral Tenorio, Jacob Pedersen, Mario Barbatti, et al.
Page
of 16
Search research articles
Search
Showing results (81-90 of 158) with videos related to
Sort By:
Page
of 16
Journal of Computational Chemistry
|
March 24, 2025
Foreword to the Special Issue for Hans Lischka
Adelia J A Aquino, Mario Barbatti, Peter G Szalay, et al.
Open Research Europe
|
August 30, 2023
Fewest switches surface hopping with Baeck-An couplings
Mariana T do Casal, Josene M Toldo, Max Pinheiro, et al.
The Journal of Physical Chemistry Letters
|
May 7, 2026
The Hidden Routes of DNA Photostability: Charge and Proton Transfer in Excited Cytosine-Guanine Tetramers
Juliana G de Abrantes, Josene M Toldo, Mario Barbatti, et al.
The Journal of Chemical Physics
|
April 16, 2024
Prediction Challenge: Simulating Rydberg photoexcited cyclobutanone with surface hopping dynamics based on different electronic structure methods
Saikat Mukherjee, Rafael S Mattos, Josene M Toldo, et al.
Chemical Science
|
September 30, 2017
The photophysics of naphthalene dimers controlled by sulfur bridge oxidation
Clàudia Climent, Mario Barbatti, Michael O Wolf, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
September 4, 2015
Excited-State Proton Transfer Can Tune the Color of Protein Fluorescent Markers
Daiana T Mancini, Kakali Sen, Mario Barbatti, et al.
The Journal of Physical Chemistry. A
|
April 4, 2020
Nonadiabatic Dynamics of Charge-Transfer States Using the Anthracene-Tetracyanoethylene Complex as a Prototype
Farhan Siddique, Mario Barbatti, Zhonghua Cui, et al.
Journal of Chemical Theory and Computation
|
June 28, 2019
Ultrafast Photoinduced Dynamics of 1,3-Cyclohexadiene Using XMS-CASPT2 Surface Hopping
Iakov Polyak, Lewis Hutton, Rachel Crespo-Otero, et al.
Journal of Chemical Theory and Computation
|
January 11, 2024
Recommendations for Velocity Adjustment in Surface Hopping
Josene M Toldo, Rafael S Mattos, Max Pinheiro, et al.
The Journal of Physical Chemistry. A
|
December 22, 2023
Auger-Meitner and X-ray Absorption Spectra of Ethylene Cation: Insight into Conical Intersection Dynamics
Bruno Nunes Cabral Tenorio, Jacob Pedersen, Mario Barbatti, et al.
Page
of 16