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Physical Chemistry Chemical Physics : PCCP|August 26, 2010
Matrix-controlled photofragmentation of formamide: dynamics simulation in argon by nonadiabatic QM/MM methodMirjana Eckert-Maksić, Mario Vazdar, Matthias Ruckenbauer, et al.The Journal of Chemical Physics|November 10, 2006
The nonadiabatic deactivation paths of pyrroleMario Barbatti, Mario Vazdar, Adélia J A Aquino, et al.The Journal of Chemical Physics|January 12, 2011
The decay mechanism of photoexcited guanine - a nonadiabatic dynamics studyMario Barbatti, Jaroslaw J Szymczak, Adélia J A Aquino, et al.Journal of Chemical Theory and Computation|November 19, 2015
Surface Hopping Dynamics with Correlated Single-Reference Methods: 9H-Adenine as a Case StudyFelix Plasser, Rachel Crespo-Otero, Marek Pederzoli, et al.Physical Chemistry Chemical Physics : PCCP|May 13, 2022
Pre-Dewar structure modulates protonated azaindole photodynamicsRitam Mansour, Saikat Mukherjee, Max Pinheiro, et al.Physical Chemistry Chemical Physics : PCCP|February 25, 2011
Photodynamical simulations of cytosine: characterization of the ultrafast bi-exponential UV deactivationMario Barbatti, Adélia J A Aquino, Jaroslaw J Szymczak, et al.The Journal of Physical Chemistry. A|October 27, 2011
Excited-state intermolecular proton transfer reactions of 7-azaindole(MeOH)(n) (n = 1-3) clusters in the gas phase: on-the-fly dynamics simulationRathawat Daengngern, Nawee Kungwan, Peter Wolschann, et al.The Journal of Physical Chemistry Letters|September 5, 2019
Modulating Electron Transfer in an Organic Reaction via Chemical Group Modification of the PhotocatalystRan Liu, Li Yang, Tongtong Yang, et al.The Journal of Physical Chemistry. A|May 11, 2010
Photodynamics of azomethane: a nonadiabatic surface-hopping studyBernhard Sellner, Matthias Ruckenbauer, Ivan Stambolić, et al.The Journal of Chemical Physics|December 20, 2012
Critical appraisal of excited state nonadiabatic dynamics simulations of 9H-adenineMario Barbatti, Zhenggang Lan, Rachel Crespo-Otero, et al.Pageof 25