Publications by authors named "Stephan Thiel"

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Comment on "Volcanic monitoring of the 2021 La Palma eruption using long-period magnetotelluric data".
Darcy Cordell, Graham Hill, Max Moorkamp, Stephan Thiel

Sci Rep· December 2025

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Lower crustal resistivity signature of an orogenic gold system.
Graham Heinson, Jingming Duan, Alison Kirkby, Kate Robertson, Stephan Thiel

Sci Rep· August 2021

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The crustal geophysical signature of a world-class magmatic mineral system.
Graham Heinson, Yohannes Didana, Paul Soeffky, Stephan Thiel, Tom Wise

Sci Rep· July 2018

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Toward accurate barriers for enzymatic reactions: QM/MM case study on p-hydroxybenzoate hydroxylase.
Ricardo A Mata, Hans-Joachim Werner, Stephan Thiel, Walter Thiel

J Chem Phys· January 2008

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QM-MM interactions in simulations of liquid water using combined semi-empirical/classical Hamiltonians.
Daan P Geerke, Stephan Thiel, Walter Thiel, Wilfred F van Gunsteren

Phys Chem Chem Phys· January 2008

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Combined QM/MM Molecular Dynamics Study on a Condensed-Phase SN2 Reaction at Nitrogen:  The Effect of Explicitly Including Solvent Polarization.
Daan P Geerke, Stephan Thiel, Walter Thiel, Wilfred F van Gunsteren

J Chem Theory Comput· July 2007

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Exploiting QM/MM Capabilities in Geometry Optimization:  A Microiterative Approach Using Electrostatic Embedding.
Johannes Kästner, Stephan Thiel, Hans Martin Senn, Paul Sherwood, Walter Thiel

J Chem Theory Comput· May 2007

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High-accuracy computation of reaction barriers in enzymes.
Frederik Claeyssens, Jeremy N Harvey, Frederick R Manby, Ricardo A Mata, Adrian J Mulholland, Stephan Thiel, Walter Thiel

Angew Chem Int Ed Engl· October 2006

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QM/MM Free-Energy Perturbation Compared to Thermodynamic Integration and Umbrella Sampling:  Application to an Enzymatic Reaction.
Johannes Kästner, Hans Martin Senn, Stephan Thiel, Nikolaj Otte, Walter Thiel

J Chem Theory Comput· March 2006

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Enzymatic Hydroxylation in p-Hydroxybenzoate Hydroxylase:  A Case Study for QM/MM Molecular Dynamics.
Hans Martin Senn, Stephan Thiel, Walter Thiel

J Chem Theory Comput· May 2005

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High light-induced switch from C(3)-photosynthesis to Crassulacean acid metabolism is mediated by UV-A/blue light.
Thorsten E E Grams, Stephan Thiel

J Exp Bot· June 2002

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