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The Journal of Physical Chemistry Letters|September 15, 2017
Hot and Cold Charge-Transfer Mechanisms in Organic Photovoltaics: Insights into the Excited States of Donor/Acceptor InterfacesDaniele Fazzi, Mario Barbatti, Walter ThielTopics in Current Chemistry|March 21, 2014
Computational modeling of photoexcitation in DNA single and double strandsYou Lu, Zhenggang Lan, Walter ThielJournal of the American Chemical Society|December 20, 2011
Intramolecular hydrogen bonding plays a crucial role in the photophysics and photochemistry of the GFP chromophoreGanglong Cui, Zhenggang Lan, Walter ThielJournal of the American Chemical Society|August 31, 2013
Amine oxidation mediated by lysine-specific demethylase 1: quantum mechanics/molecular mechanics insights into mechanism and role of lysine 661Bora Karasulu, Mahendra Patil, Walter ThielJournal of Chemical Theory and Computation|December 1, 2015
A Local Pair Natural Orbital Coupled Cluster Study of Rh Catalyzed Asymmetric Olefin HydrogenationAnakuthil Anoop, Walter Thiel, Frank NeeseOrganic Letters|March 26, 2013
Mechanism of the Pummerer reaction: a computational studyMahendra Patil, Claudia Loerbroks, Walter ThielChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|April 28, 2009
Photoinduced nonadiabatic dynamics of 9H-guanineZhenggang Lan, Eduardo Fabiano, Walter ThielThe Journal of Physical Chemistry. B|February 26, 2009
Photoinduced nonadiabatic dynamics of pyrimidine nucleobases: on-the-fly surface-hopping study with semiempirical methodsZhenggang Lan, Eduardo Fabiano, Walter ThielBiochimica Et Biophysica Acta|May 2, 2009
Mechanism and energetics by which glutamic acid 242 prevents leaks in cytochrome c oxidaseVille R I Kaila, Michael I Verkhovsky, Gerhard Hummer, et al.Nature Communications|February 24, 2022
Evidence for a trap-and-flip mechanism in a proton-dependent lipid transporterElisabeth Lambert, Ahmad Reza Mehdipour, Alexander Schmidt, et al.Pageof 59