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Martin Kaupp

Showing results (41-50 of 255) with videos related to

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The Journal of Physical Chemistry. A|March 8, 2024
Implementation and First Evaluation of Strong-Correlation-Corrected Local Hybrid Functionals for the Calculation of NMR Shieldings and ShiftsCaspar Jonas Schattenberg, Martin Kaupp
The Journal of Physical Chemistry. A|October 28, 2017
Four-Component Relativistic Density Functional Calculations of EPR Parameters for Model Complexes of TungstoenzymesSebastian Gohr, Peter Hrobárik, Martin Kaupp
Inorganic Chemistry|August 30, 2007
Computational studies of EPR parameters for paramagnetic molybdenum complexes. II. Larger MoV systems relevant to molybdenum enzymesJörg Fritscher, Peter Hrobárik, Martin Kaupp
The Journal of Physical Chemistry. A|April 28, 2026
Systematic Evaluation of a Cluster-Continuum-Model Workflow to Compute the Free Energies of Solvation of Ions in Different SolventsMorten Lehmann, Froze Jameel, Martin Kaupp
The Journal of Physical Chemistry. A|December 31, 2025
Data-Driven Learning of Optimal Position-Dependent Exact-Exchange Energy Density Mixing for Improved Density FunctionalsMartin Kaupp, Nóra Kovács, Artur Wodyński
Journal of the American Chemical Society|July 11, 2012
Can zinc really exist in its oxidation state +III?Tobias Schlöder, Martin Kaupp, Sebastian Riedel
The Journal of Physical Chemistry. B|January 26, 2007
Understanding the electon paramagnetic resonance parameters of protein-bound glycyl radicalsSylwia Kacprzak, Roman Reviakine, Martin Kaupp
Angewandte Chemie (International Ed. in English)|February 13, 2001
Breakdown of Bond Length-Bond Strength Correlation: A Case Study This work was supported by Deutsche Forschungsgemeinschaft and by Fonds der Chemischen IndustrieMartin Kaupp, Bernhard Metz, Hermann Stoll
Journal of Chemical Theory and Computation|August 30, 2019
Development and Implementation of Excited-State Gradients for Local Hybrid FunctionalsRobin Grotjahn, Filipp Furche, Martin Kaupp
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|October 27, 2024
Post-CCSD(T) Thermochemistry of Chlorine Fluorides as a Challenging Test Case for Evaluating Density Functional Theory and Composite Ab Initio MethodsAmir Karton, Matthias Haasler, Martin Kaupp
Pageof 26

Showing results (41-50 of 255) with videos related to

Sort By:
Pageof 26
The Journal of Physical Chemistry. A|March 8, 2024
Implementation and First Evaluation of Strong-Correlation-Corrected Local Hybrid Functionals for the Calculation of NMR Shieldings and ShiftsCaspar Jonas Schattenberg, Martin Kaupp
The Journal of Physical Chemistry. A|October 28, 2017
Four-Component Relativistic Density Functional Calculations of EPR Parameters for Model Complexes of TungstoenzymesSebastian Gohr, Peter Hrobárik, Martin Kaupp
Inorganic Chemistry|August 30, 2007
Computational studies of EPR parameters for paramagnetic molybdenum complexes. II. Larger MoV systems relevant to molybdenum enzymesJörg Fritscher, Peter Hrobárik, Martin Kaupp
The Journal of Physical Chemistry. A|April 28, 2026
Systematic Evaluation of a Cluster-Continuum-Model Workflow to Compute the Free Energies of Solvation of Ions in Different SolventsMorten Lehmann, Froze Jameel, Martin Kaupp
The Journal of Physical Chemistry. A|December 31, 2025
Data-Driven Learning of Optimal Position-Dependent Exact-Exchange Energy Density Mixing for Improved Density FunctionalsMartin Kaupp, Nóra Kovács, Artur Wodyński
Journal of the American Chemical Society|July 11, 2012
Can zinc really exist in its oxidation state +III?Tobias Schlöder, Martin Kaupp, Sebastian Riedel
The Journal of Physical Chemistry. B|January 26, 2007
Understanding the electon paramagnetic resonance parameters of protein-bound glycyl radicalsSylwia Kacprzak, Roman Reviakine, Martin Kaupp
Angewandte Chemie (International Ed. in English)|February 13, 2001
Breakdown of Bond Length-Bond Strength Correlation: A Case Study This work was supported by Deutsche Forschungsgemeinschaft and by Fonds der Chemischen IndustrieMartin Kaupp, Bernhard Metz, Hermann Stoll
Journal of Chemical Theory and Computation|August 30, 2019
Development and Implementation of Excited-State Gradients for Local Hybrid FunctionalsRobin Grotjahn, Filipp Furche, Martin Kaupp
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|October 27, 2024
Post-CCSD(T) Thermochemistry of Chlorine Fluorides as a Challenging Test Case for Evaluating Density Functional Theory and Composite Ab Initio MethodsAmir Karton, Matthias Haasler, Martin Kaupp
Pageof 26