Publications by authors named "Stephan Schenk"

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ChemEnv: a fast and robust coordination environment identification tool.
David Waroquiers, Janine George, Matthew Horton, Stephan Schenk, Kristin A Persson

Acta Crystallogr B Struct Sci Cryst Eng Mater· August 2020

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Haloperoxidase Mimicry by CeO Nanorods Combats Biofouling.
Karoline Herget, Patrick Hubach, Stefan Pusch, Peter Deglmann, Hermann Götz, Stephan Schenk

Adv Mater· January 2017

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Comment on "Computational studies on organic reactivity in ionic liquids" by C. Chiappe and C. S. Pomelli, Phys. Chem. Chem. Phys., 2013, 15, 412.
Andreas Klamt, Stephan Schenk, Peter Deglmann, Jose Palomar Herrero

Phys Chem Chem Phys· July 2013

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M(O)V(I)P(AC): vibrational spectroscopy with a robust meta-program for massively parallel standard and inverse calculations.
Thomas Weymuth, Moritz P Haag, Karin Kiewisch, Sandra Luber, Stephan Schenk

J Comput Chem· October 2012

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Thermodynamics of chemical reactions with COSMO-RS: the extreme case of charge separation or recombination.
Peter Deglmann, Stephan Schenk

J Comput Chem· May 2012

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A stable six-coordinate intermediate in ammonia-dinitrogen exchange at Schrock's molybdenum catalyst.
Stephan Schenk, Barbara Kirchner, Markus Reiher

Chemistry· June 2009

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Ligands for dinitrogen fixation at Schrock-type catalysts.
Stephan Schenk, Markus Reiher

Inorg Chem· February 2009

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First-principles investigation of the Schrock mechanism of dinitrogen reduction employing the full HIPTN3N ligand.
Stephan Schenk, Boris Le Guennic, Barbara Kirchner, Markus Reiher

Inorg Chem· May 2008

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Formation of a unique zinc carbamate by CO2 fixation: implications for the reactivity of tetra-azamacrocycle ligated Zn(II) complexes.
Johannes Notni, Stephan Schenk, Helmar Görls, Hergen Breitzke, Ernst Anders

Inorg Chem· February 2008

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The missing link in COS metabolism: a model study on the reactivation of carbonic anhydrase from its hydrosulfide analogue.
Johannes Notni, Stephan Schenk, Gabi Protoschill-Krebs, Jürgen Kesselmeier, Ernst Anders

Chembiochem· March 2007

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Carbon dioxide and related heterocumulenes at zinc and lithium cations: bioinspired reactions and principles.
Stephan Schenk, Johannes Notni, Uwe Köhn, Kurt Wermann, Ernst Anders

Dalton Trans· September 2006

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Density functional investigation of the Mitsunobu reaction.
Stephan Schenk, Jennie Weston, Ernst Anders

J Am Chem Soc· September 2005

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How does the exchange of one oxygen atom with sulfur affect the catalytic cycle of carbonic anhydrase?
Stephan Schenk, Jürgen Kesselmeier, Ernst Anders

Chemistry· June 2004

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A gas-phase reaction as a functional model for the activation of carbon dioxide by carbonic anhydrase.
Detlef Schröder, Helmut Schwarz, Stephan Schenk, Ernst Anders

Angew Chem Int Ed Engl· October 2003

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