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Journal of Chemical Theory and Computation
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April 12, 2021
Velocity Adjustment in Surface Hopping: Ethylene as a Case Study of the Maximum Error Caused by Direction Choice
Mario Barbatti
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
July 22, 2014
Computational reference data for the photochemistry of cyclobutane pyrimidine dimers
Mario Barbatti
The Journal of Chemical Physics
|
June 1, 2022
Defining the temperature of an isolated molecule
Mario Barbatti
Journal of Chemical Theory and Computation
|
June 25, 2020
Simulation of Excitation by Sunlight in Mixed Quantum-Classical Dynamics
Mario Barbatti
Pure and Applied Chemistry. Chimie Pure Et Appliquee
|
September 19, 2025
When theory came first: a review of theoretical chemical predictions ahead of experiments
Mario Barbatti
Physical Chemistry Chemical Physics : PCCP
|
February 1, 2011
The role of tautomers in the UV absorption of urocanic acid
Mario Barbatti
Journal of the American Chemical Society
|
July 11, 2014
Photorelaxation induced by water-chromophore electron transfer
Mario Barbatti
Journal of the American Chemical Society
|
May 1, 2008
Nonadiabatic deactivation of 9H-adenine: a comprehensive picture based on mixed quantum-classical dynamics
Mario Barbatti, Hans Lischka
Chemical Science
|
June 7, 2021
Nonadiabatic dynamics in multidimensional complex potential energy surfaces
Fábris Kossoski, Mario Barbatti
Journal of Chemical Theory and Computation
|
June 9, 2022
A Hessian-Free Method to Prevent Zero-Point Energy Leakage in Classical Trajectories
Saikat Mukherjee, Mario Barbatti
Page
of 16
Search research articles
Search
Showing results (1-10 of 158) with videos related to
Sort By:
Page
of 16
Journal of Chemical Theory and Computation
|
April 12, 2021
Velocity Adjustment in Surface Hopping: Ethylene as a Case Study of the Maximum Error Caused by Direction Choice
Mario Barbatti
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
July 22, 2014
Computational reference data for the photochemistry of cyclobutane pyrimidine dimers
Mario Barbatti
The Journal of Chemical Physics
|
June 1, 2022
Defining the temperature of an isolated molecule
Mario Barbatti
Journal of Chemical Theory and Computation
|
June 25, 2020
Simulation of Excitation by Sunlight in Mixed Quantum-Classical Dynamics
Mario Barbatti
Pure and Applied Chemistry. Chimie Pure Et Appliquee
|
September 19, 2025
When theory came first: a review of theoretical chemical predictions ahead of experiments
Mario Barbatti
Physical Chemistry Chemical Physics : PCCP
|
February 1, 2011
The role of tautomers in the UV absorption of urocanic acid
Mario Barbatti
Journal of the American Chemical Society
|
July 11, 2014
Photorelaxation induced by water-chromophore electron transfer
Mario Barbatti
Journal of the American Chemical Society
|
May 1, 2008
Nonadiabatic deactivation of 9H-adenine: a comprehensive picture based on mixed quantum-classical dynamics
Mario Barbatti, Hans Lischka
Chemical Science
|
June 7, 2021
Nonadiabatic dynamics in multidimensional complex potential energy surfaces
Fábris Kossoski, Mario Barbatti
Journal of Chemical Theory and Computation
|
June 9, 2022
A Hessian-Free Method to Prevent Zero-Point Energy Leakage in Classical Trajectories
Saikat Mukherjee, Mario Barbatti
Page
of 16