Showing results (21-30 of 96) with videos related to

Sort By:
Pageof 10
Accounts of Chemical Research|January 9, 2025
Selecting Initial Conditions for Trajectory-Based Nonadiabatic SimulationsJiří Janoš, Petr Slavíček, Basile F E Curchod
Physical Chemistry Chemical Physics : PCCP|May 16, 2015
Excited state dynamics of thiophene and bithiophene: new insights into theoretically challenging systemsAntonio Prlj, Basile F E Curchod, Clémence Corminboeuf
The Journal of Physical Chemistry Letters|October 15, 2024
Including Photoexcitation Explicitly in Trajectory-Based Nonadiabatic Dynamics at No CostJiří Janoš, Petr Slavíček, Basile F E Curchod
The Journal of Physical Chemistry. A|July 28, 2022
A Theoretical Perspective on the Actinic Photochemistry of 2-HydroperoxypropanalEmanuele Marsili, Antonio Prlj, Basile F E Curchod
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|April 30, 2013
Trajectory-based nonadiabatic dynamics with time-dependent density functional theoryBasile F E Curchod, Ursula Rothlisberger, Ivano Tavernelli
The Journal of Physical Chemistry. A|July 18, 2024
Perspective on Theoretical and Experimental Advances in Atmospheric PhotochemistryBasile F E Curchod, Andrew J Orr-Ewing
Physical Chemistry Chemical Physics : PCCP|January 26, 2011
Trajectory-based solution of the nonadiabatic quantum dynamics equations: an on-the-fly approach for molecular dynamics simulationsBasile F E Curchod, Ivano Tavernelli, Ursula Rothlisberger
The Journal of Chemical Physics|November 26, 2009
On nonadiabatic coupling vectors in time-dependent density functional theoryIvano Tavernelli, Basile F E Curchod, Ursula Rothlisberger
Chimia|May 23, 2012
Excited state dynamics with quantum trajectoriesBasile F E Curchod, Ursula Rothlisberger, Ivano Tavernelli
The Journal of Physical Chemistry. A|August 9, 2023
Deciphering the Influence of Ground-State Distributions on the Calculation of Photolysis ObservablesAntonio Prlj, Daniel Hollas, Basile F E Curchod
Pageof 10