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Bernd Engels

Showing results (31-40 of 173) with videos related to

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Journal of Chemical Theory and Computation|November 22, 2015
A New Tabu-Search-Based Algorithm for Solvation of ProteinsChristoph Grebner, Johannes Kästner, Walter Thiel, et al.
The Journal of Physical Chemistry. B|March 24, 2009
Rational design of improved aziridine-based inhibitors of cysteine proteasesVerena Buback, Milena Mladenovic, Bernd Engels, et al.
Physical Chemistry Chemical Physics : PCCP|October 30, 2025
The role of electron spin in molecular photochemical and photophysical processes: theory and experimentShirin Faraji, Martin Kleinschmidt, Bernd Engels, et al.
Journal of Computational Chemistry|July 17, 2007
Conformational analysis of arginine in gas phase--a strategy for scanning the potential energy surface effectivelySebastian Schlund, Robert Müller, Carsten Grassmann, et al.
Chemmedchem|August 26, 2006
Rational design of aziridine-containing cysteine protease inhibitors with improved potency: studies on inhibition mechanismRadim Vicik, Holger Helten, Tanja Schirmeister, et al.
The Journal of Physical Chemistry. B|March 27, 2009
Environmental effects on charge densities of biologically active molecules: do molecule crystal environments indeed approximate protein surroundings?Milena Mladenovic, Mario Arnone, Reinhold F Fink, et al.
Organic Letters|April 16, 2008
Testing the validity of the conventional resonance model for protonated carbonyl, imine and thiocarbonyl compounds. An Ab initio valence bond studyBenoît Braïda, Dilshaad Bundhoo, Bernd Engels, et al.
Angewandte Chemie (International Ed. in English)|February 17, 2001
About the Chemistry of Phosphorus Suboxides The authors thank J. Clade, A. Tellenbach, and M. Jansen (Max-Planck-Institut, Stuttgart) for many fruitful discussions. This work was supported by the Deutsche Forschungsgesellschaft (Sonderforschungsbereich 334) and the Fonds der Chemischen Industrie. Service and computer time from the HRLZ Jülich were essential for the present studyBernd Engels, Anna R. Soares Valentim, Sigrid D. Peyerimhoff
Journal of the American Chemical Society|February 21, 2002
On the regioselectivity of the cyclization of enyne-ketenes: a computational investigation and comparison with the Myers-Saito and Schmittel reactionPatrick W Musch, Christian Remenyi, Holger Helten, et al.
Journal of Computational Chemistry|July 3, 2016
Charge carrier mobilities in organic semiconductor crystals based on the spectral overlapVera Stehr, Reinhold F Fink, Carsten Deibel, et al.
Pageof 18

Showing results (31-40 of 173) with videos related to

Sort By:
Pageof 18
Journal of Chemical Theory and Computation|November 22, 2015
A New Tabu-Search-Based Algorithm for Solvation of ProteinsChristoph Grebner, Johannes Kästner, Walter Thiel, et al.
The Journal of Physical Chemistry. B|March 24, 2009
Rational design of improved aziridine-based inhibitors of cysteine proteasesVerena Buback, Milena Mladenovic, Bernd Engels, et al.
Physical Chemistry Chemical Physics : PCCP|October 30, 2025
The role of electron spin in molecular photochemical and photophysical processes: theory and experimentShirin Faraji, Martin Kleinschmidt, Bernd Engels, et al.
Journal of Computational Chemistry|July 17, 2007
Conformational analysis of arginine in gas phase--a strategy for scanning the potential energy surface effectivelySebastian Schlund, Robert Müller, Carsten Grassmann, et al.
Chemmedchem|August 26, 2006
Rational design of aziridine-containing cysteine protease inhibitors with improved potency: studies on inhibition mechanismRadim Vicik, Holger Helten, Tanja Schirmeister, et al.
The Journal of Physical Chemistry. B|March 27, 2009
Environmental effects on charge densities of biologically active molecules: do molecule crystal environments indeed approximate protein surroundings?Milena Mladenovic, Mario Arnone, Reinhold F Fink, et al.
Organic Letters|April 16, 2008
Testing the validity of the conventional resonance model for protonated carbonyl, imine and thiocarbonyl compounds. An Ab initio valence bond studyBenoît Braïda, Dilshaad Bundhoo, Bernd Engels, et al.
Angewandte Chemie (International Ed. in English)|February 17, 2001
About the Chemistry of Phosphorus Suboxides The authors thank J. Clade, A. Tellenbach, and M. Jansen (Max-Planck-Institut, Stuttgart) for many fruitful discussions. This work was supported by the Deutsche Forschungsgesellschaft (Sonderforschungsbereich 334) and the Fonds der Chemischen Industrie. Service and computer time from the HRLZ Jülich were essential for the present studyBernd Engels, Anna R. Soares Valentim, Sigrid D. Peyerimhoff
Journal of the American Chemical Society|February 21, 2002
On the regioselectivity of the cyclization of enyne-ketenes: a computational investigation and comparison with the Myers-Saito and Schmittel reactionPatrick W Musch, Christian Remenyi, Holger Helten, et al.
Journal of Computational Chemistry|July 3, 2016
Charge carrier mobilities in organic semiconductor crystals based on the spectral overlapVera Stehr, Reinhold F Fink, Carsten Deibel, et al.
Pageof 18