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Journal of the American Chemical Society|August 15, 2015
The Molecular Mechanism of the Catalase-like Activity in Horseradish PeroxidasePablo Campomanes, Ursula Rothlisberger, Mercedes Alfonso-Prieto, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|May 1, 2010
Electron localization dynamics in the triplet excited state of [Ru(bpy)3]2+ in aqueous solutionMarc-Etienne Moret, Ivano Tavernelli, Majed Chergui, et al.The Journal of Physical Chemistry. B|March 12, 2014
Study of the redox properties of singlet and triplet Tris(2,2'-bipyridine)ruthenium(II) ([Ru(bpy)3]2+) in aqueous solution by full quantum and mixed quantum/classical molecular dynamics simulationsPolydefkis Diamantis, Jérôme Florian Gonthier, Ivano Tavernelli, et al.Journal of Computational Chemistry|February 16, 2006
A comparative theoretical study of dipeptide solvation in waterHåkan W Hugosson, Alessandro Laio, Patrick Maurer, et al.European Journal of Medicinal Chemistry|September 22, 2014
Computational insights into function and inhibition of fatty acid amide hydrolaseGiulia Palermo, Ursula Rothlisberger, Andrea Cavalli, et al.Journal of Chemical Theory and Computation|November 27, 2015
Dispersion Corrected Atom-Centered Potentials for PhosphorusMichele Cascella, I-Chun Lin, Ivano Tavernelli, et al.The Journal of Physical Chemistry Letters|February 24, 2017
Stabilization of the Perovskite Phase of Formamidinium Lead Triiodide by Methylammonium, Cs, and/or Rb DopingOlga A Syzgantseva, Michael Saliba, Michael Grätzel, et al.Structural Dynamics (Melville, N.Y.)|January 30, 2018
Nonadiabatic effects in electronic and nuclear dynamicsMartin P Bircher, Elisa Liberatore, Nicholas J Browning, et al.The Journal of Chemical Physics|November 25, 2010
Nonadiabatic coupling vectors for excited states within time-dependent density functional theory in the Tamm-Dancoff approximation and beyondIvano Tavernelli, Basile F E Curchod, Andrey Laktionov, et al.Journal of Chemical Theory and Computation|November 19, 2015
Generalized QM/MM Force Matching Approach Applied to the 11-cis Protonated Schiff Base Chromophore of RhodopsinManuel Doemer, Patrick Maurer, Pablo Campomanes, et al.Pageof 20