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Journal of the American Chemical Society|September 30, 2005
Insight into enzymatic C-F bond formation from QM and QM/MM calculationsHans Martin Senn, David O'Hagan, Walter ThielJournal of Computational Chemistry|April 1, 2003
Implementation of a general multireference configuration interaction procedure with analytic gradients in a semiempirical context using the graphical unitary group approachAxel Koslowski, Michael E Beck, Walter ThielJournal of the American Chemical Society|February 2, 2017
Glutamine Amide Flip Elicits Long Distance Allosteric Responses in the LOV Protein VividAbir Ganguly, Walter Thiel, Brian R CraneChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|August 3, 2005
Unusual temperature effects in propene polymerization using stereorigid zirconocene catalystsVidar R Jensen, Martin Graf, Walter ThielThe Journal of Physical Chemistry. B|April 23, 2013
Quantum mechanical/molecular mechanical study on the enantioselectivity of the enzymatic Baeyer-Villiger reaction of 4-hydroxycyclohexanoneIakov Polyak, Manfred T Reetz, Walter ThielJournal of Computational Chemistry|December 17, 2009
QM/MM study of the absorption spectra of DsRed.M1 chromophoresElsa Sanchez-Garcia, Markus Doerr, Walter ThielThe Journal of Physical Chemistry. B|June 14, 2018
1-Butanol as a Solvent for Efficient Extraction of Polar Compounds from Aqueous Medium: Theoretical and Practical AspectsGerhard König, Manfred T Reetz, Walter ThielJournal of Chemical Theory and Computation|November 20, 2015
Assessment of Franck-Condon Methods for Computing Vibrationally Broadened UV-vis Absorption Spectra of Flavin Derivatives: Riboflavin, Roseoflavin, and 5-ThioflavinBora Karasulu, Jan Philipp Götze, Walter ThielChemistry (Weinheim an Der Bergstrasse, Germany)|October 4, 2002
Mechanism of olefin metathesis with catalysis by ruthenium carbene complexes: density functional studies on model systemsSergei F Vyboishchikov, Michael Bühl, Walter ThielJournal of Chemical Theory and Computation|December 8, 2015
Enzymatic Hydroxylation in p-Hydroxybenzoate Hydroxylase: A Case Study for QM/MM Molecular DynamicsHans Martin Senn, Stephan Thiel, Walter ThielPageof 59