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The Journal of Physical Chemistry. A|June 4, 2010
Nonadiabatic excited-state dynamics with hybrid ab initio quantum-mechanical/molecular-mechanical methods: solvation of the pentadieniminium cation in apolar mediaMatthias Ruckenbauer, Mario Barbatti, Thomas Müller, et al.The Journal of Physical Chemistry. A|June 22, 2011
Nonadiabatic molecular dynamics study of the cis-trans photoisomerization of azobenzene excited to the S1 stateMarek Pederzoli, Jiří Pittner, Mario Barbatti, et al.Journal of Computational Chemistry|December 14, 2024
Ultrafast Dynamics of Diketopyrrolopyrrole DimersAli Al-Jaaidi, Josene M Toldo, Mario BarbattiThe Journal of Physical Chemistry. A|July 13, 2006
A multireference configuration interaction investigation of the excited-state energy surfaces of fluoroethylene (C2H3F)Mario Barbatti, Adélia J A Aquino, Hans LischkaPhysical Chemistry Chemical Physics : PCCP|May 7, 2010
The UV absorption of nucleobases: semi-classical ab initio spectra simulationsMario Barbatti, Adelia J A Aquino, Hans LischkaThe Journal of Physical Chemistry. A|October 22, 2010
Wavelength dependence of electronic relaxation in isolated adenine using UV femtosecond time-resolved photoelectron spectroscopyNicholas L Evans, Susanne UllrichThe Journal of Chemical Physics|August 24, 2014
Guanidine and guanidinium cation in the excited state--theoretical investigationIvana Antol, Zoran Glasovac, Rachel Crespo-Otero, et al.Physical Chemistry Chemical Physics : PCCP|February 4, 2017
Tailoring the Schiff base photoswitching - a non-adiabatic molecular dynamics study of substituent effect on excited state proton transferJoanna Jankowska, Mario Barbatti, Joanna Sadlej, et al.Physical Chemistry Chemical Physics : PCCP|July 14, 2017
A three-state model for the photo-Fries rearrangementJosene M Toldo, Mario Barbatti, Paulo F B GonçalvesThe Journal of Chemical Physics|December 25, 2007
Simulation of the photodeactivation of formamide in the nO-pi* and pi-pi* states: an ab initio on-the-fly surface-hopping dynamics studyIvana Antol, Mirjana Eckert-Maksić, Mario Barbatti, et al.Pageof 25