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Plos Computational Biology|April 12, 2008
Binding-induced folding of a natively unstructured transcription factorAdrian Gustavo Turjanski, J Silvio Gutkind, Robert B Best, et al.Journal of the American Chemical Society|March 12, 2016
Unveiling the Role of Hot Charge-Transfer States in Molecular Aggregates via Nonadiabatic DynamicsDaniele Fazzi, Mario Barbatti, Walter ThielThe Journal of Organic Chemistry|January 4, 2006
Density functional study of enantioselectivity in the 2-methylproline-catalyzed alpha-alkylation of aldehydesAiping Fu, Benjamin List, Walter ThielPhysical Chemistry Chemical Physics : PCCP|May 10, 2012
Nonadiabatic decay dynamics of 9H-guanine in aqueous solutionBerit Heggen, Zhenggang Lan, Walter ThielJournal of Computational Chemistry|June 21, 2008
Force-field parameters for the simulation of tetrahedral intermediates of serine hydrolasesNikolaj Otte, Marco Bocola, Walter ThielThe Journal of Chemical Physics|July 2, 2018
Analytic gradient and derivative couplings for the spin-flip extended configuration interaction singles method: Theory, implementation, and application to proton transferJie Liu, Axel Koslowski, Walter ThielThe Journal of Physical Chemistry. A|March 28, 2007
Looking at self-consistent-charge density functional tight binding from a semiempirical perspectiveNikolaj Otte, Mirjam Scholten, Walter ThielPhysical Chemistry Chemical Physics : PCCP|February 26, 2015
Modeling ultrafast exciton deactivation in oligothiophenes via nonadiabatic dynamicsDaniele Fazzi, Mario Barbatti, Walter ThielJournal of Computational Chemistry|March 27, 2015
Solvents effects on the mechanism of cellulose hydrolysis: A QM/MM studyClaudia Loerbroks, Andreas Heimermann, Walter ThielThe Journal of Chemical Physics|December 3, 2013
Theoretical rotation-vibration spectrum of thioformaldehydeAndrey Yachmenev, Iakov Polyak, Walter ThielPageof 59