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Michael Diedenhofen

Showing results (11-20 of 36) with videos related to

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Physical Chemistry Chemical Physics : PCCP|August 19, 2007
Prediction of the vapor pressure and vaporization enthalpy of 1-n-alkyl-3-methylimidazolium-bis-(trifluoromethanesulfonyl) amide ionic liquidsMichael Diedenhofen, Andreas Klamt, Kenneth Marsh, et al.
Angewandte Chemie (International Ed. in English)|May 2, 2018
Turning a Transition State into a Minimum-The Nature of the Bonding in Diplumbylene Compounds RPbPbR (R=H, Ar)Yu Chen, Michael Hartmann, Michael Diedenhofen, et al.
Journal of Chemical Information and Modeling|September 27, 2005
Use of surface charges from DFT calculations to predict intestinal absorptionRon Jones, Paul C Connolly, Andreas Klamt, et al.
The Journal of Physical Chemistry. A|August 28, 2015
First Principles Calculations of Aqueous pKa Values for Organic and Inorganic Acids Using COSMO-RS Reveal an Inconsistency in the Slope of the pKa ScaleAndreas Klamt, Frank Eckert, Michael Diedenhofen, et al.
Journal of Chemical Information and Modeling|November 7, 2019
Benchmarking Different QM Levels for Usage with COSMO-RSJens Reinisch, Michael Diedenhofen, Rainer Wilcken, et al.
Journal of Chemical Theory and Computation|November 26, 2015
Reliable Quantum Chemical Prediction of the Localized/Delocalized Character of Organic Mixed-Valence Radical Anions. From Continuum Solvent Models to Direct-COSMO-RSManuel Renz, Martin Kess, Michael Diedenhofen, et al.
Physical Chemistry Chemical Physics : PCCP|November 21, 2023
Blind prediction of toluene/water partition coefficients using COSMO-RS: results from the SAMPL9 challengeThomas Nevolianis, Raja A Ahmed, Arnim Hellweg, et al.
Physical Chemistry Chemical Physics : PCCP|November 29, 2011
Polarization charge densities provide a predictive quantification of hydrogen bond energiesAndreas Klamt, Jens Reinisch, Frank Eckert, et al.
The Journal of Physical Chemistry. A|February 10, 2006
Calculation of solvent shifts on electronic g-tensors with the conductor-like screening model (COSMO) and its self-consistent generalization to real solvents (direct COSMO-RS)Sebastian Sinnecker, Arivazhagan Rajendran, Andreas Klamt, et al.
Journal of Cerebral Blood Flow and Metabolism : Official Journal of the International Society of Cerebral Blood Flow and Metabolism|June 5, 2002
Magnetic resonance angiography of thromboembolic stroke in rats: indicator of recanalization probability and tissue survival after recombinant tissue plasminogen activator treatmentThomas Hilger, Frank Niessen, Michael Diedenhofen, et al.
Pageof 4

Showing results (11-20 of 36) with videos related to

Sort By:
Pageof 4
Physical Chemistry Chemical Physics : PCCP|August 19, 2007
Prediction of the vapor pressure and vaporization enthalpy of 1-n-alkyl-3-methylimidazolium-bis-(trifluoromethanesulfonyl) amide ionic liquidsMichael Diedenhofen, Andreas Klamt, Kenneth Marsh, et al.
Angewandte Chemie (International Ed. in English)|May 2, 2018
Turning a Transition State into a Minimum-The Nature of the Bonding in Diplumbylene Compounds RPbPbR (R=H, Ar)Yu Chen, Michael Hartmann, Michael Diedenhofen, et al.
Journal of Chemical Information and Modeling|September 27, 2005
Use of surface charges from DFT calculations to predict intestinal absorptionRon Jones, Paul C Connolly, Andreas Klamt, et al.
The Journal of Physical Chemistry. A|August 28, 2015
First Principles Calculations of Aqueous pKa Values for Organic and Inorganic Acids Using COSMO-RS Reveal an Inconsistency in the Slope of the pKa ScaleAndreas Klamt, Frank Eckert, Michael Diedenhofen, et al.
Journal of Chemical Information and Modeling|November 7, 2019
Benchmarking Different QM Levels for Usage with COSMO-RSJens Reinisch, Michael Diedenhofen, Rainer Wilcken, et al.
Journal of Chemical Theory and Computation|November 26, 2015
Reliable Quantum Chemical Prediction of the Localized/Delocalized Character of Organic Mixed-Valence Radical Anions. From Continuum Solvent Models to Direct-COSMO-RSManuel Renz, Martin Kess, Michael Diedenhofen, et al.
Physical Chemistry Chemical Physics : PCCP|November 21, 2023
Blind prediction of toluene/water partition coefficients using COSMO-RS: results from the SAMPL9 challengeThomas Nevolianis, Raja A Ahmed, Arnim Hellweg, et al.
Physical Chemistry Chemical Physics : PCCP|November 29, 2011
Polarization charge densities provide a predictive quantification of hydrogen bond energiesAndreas Klamt, Jens Reinisch, Frank Eckert, et al.
The Journal of Physical Chemistry. A|February 10, 2006
Calculation of solvent shifts on electronic g-tensors with the conductor-like screening model (COSMO) and its self-consistent generalization to real solvents (direct COSMO-RS)Sebastian Sinnecker, Arivazhagan Rajendran, Andreas Klamt, et al.
Journal of Cerebral Blood Flow and Metabolism : Official Journal of the International Society of Cerebral Blood Flow and Metabolism|June 5, 2002
Magnetic resonance angiography of thromboembolic stroke in rats: indicator of recanalization probability and tissue survival after recombinant tissue plasminogen activator treatmentThomas Hilger, Frank Niessen, Michael Diedenhofen, et al.
Pageof 4