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Martin Kaupp

Showing results (71-80 of 255) with videos related to

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Journal of Computational Chemistry|August 28, 2023
Toward a correct treatment of core properties with local hybrid functionalsMatthias Haasler, Toni M Maier, Martin Kaupp
The Journal of Chemical Physics|June 30, 2023
Strong-correlation density functionals made simpleArtur Wodyński, Alexei V Arbuznikov, Martin Kaupp
The Journal of Physical Chemistry. B|July 21, 2006
Comparative density-functional study of the electron paramagnetic resonance parameters of amavadinChristian Remenyi, Markéta L Munzarova, Martin Kaupp
The Journal of Chemical Physics|October 16, 2021
Local hybrid functionals augmented by a strong-correlation modelArtur Wodyński, Alexei V Arbuznikov, Martin Kaupp
Journal of Chemical Theory and Computation|July 20, 2016
[Al2O4](-), a Benchmark Gas-Phase Class II Mixed-Valence Radical Anion for the Evaluation of Quantum-Chemical MethodsMartin Kaupp, Amir Karton, Florian A Bischoff
Chemistry (Weinheim an Der Bergstrasse, Germany)|March 25, 2017
Insights into trans-Ligand and Spin-Orbit Effects on Electronic Structure and Ligand NMR Shifts in Transition-Metal ComplexesAnja H Greif, Peter Hrobárik, Martin Kaupp
Journal of Chemical Theory and Computation|November 18, 2015
Efficient Semi-numerical Implementation of Global and Local Hybrid Functionals for Time-Dependent Density Functional TheoryToni M Maier, Hilke Bahmann, Martin Kaupp
The Journal of Physical Chemistry. A|October 24, 2009
Local hybrid functionals with an explicit dependence on spin polarizationAlexei V Arbuznikov, Hilke Bahmann, Martin Kaupp
Chemistry (Weinheim an Der Bergstrasse, Germany)|April 11, 2016
Construction of Giant-Spin Hamiltonians from Many-Spin Hamiltonians by Third-Order Perturbation Theory and Application to an Fe3 Cr Single-Molecule MagnetShadan Ghassemi Tabrizi, Alexei V Arbuznikov, Martin Kaupp
The Journal of Physical Chemistry. A|February 7, 2019
Hubbard Trimer with Spin-Orbit Coupling: Hartree-Fock Solutions, (Non)Collinearity, and Anisotropic Spin HamiltonianShadan Ghassemi Tabrizi, Alexei V Arbuznikov, Martin Kaupp
Pageof 26

Showing results (71-80 of 255) with videos related to

Sort By:
Pageof 26
Journal of Computational Chemistry|August 28, 2023
Toward a correct treatment of core properties with local hybrid functionalsMatthias Haasler, Toni M Maier, Martin Kaupp
The Journal of Chemical Physics|June 30, 2023
Strong-correlation density functionals made simpleArtur Wodyński, Alexei V Arbuznikov, Martin Kaupp
The Journal of Physical Chemistry. B|July 21, 2006
Comparative density-functional study of the electron paramagnetic resonance parameters of amavadinChristian Remenyi, Markéta L Munzarova, Martin Kaupp
The Journal of Chemical Physics|October 16, 2021
Local hybrid functionals augmented by a strong-correlation modelArtur Wodyński, Alexei V Arbuznikov, Martin Kaupp
Journal of Chemical Theory and Computation|July 20, 2016
[Al2O4](-), a Benchmark Gas-Phase Class II Mixed-Valence Radical Anion for the Evaluation of Quantum-Chemical MethodsMartin Kaupp, Amir Karton, Florian A Bischoff
Chemistry (Weinheim an Der Bergstrasse, Germany)|March 25, 2017
Insights into trans-Ligand and Spin-Orbit Effects on Electronic Structure and Ligand NMR Shifts in Transition-Metal ComplexesAnja H Greif, Peter Hrobárik, Martin Kaupp
Journal of Chemical Theory and Computation|November 18, 2015
Efficient Semi-numerical Implementation of Global and Local Hybrid Functionals for Time-Dependent Density Functional TheoryToni M Maier, Hilke Bahmann, Martin Kaupp
The Journal of Physical Chemistry. A|October 24, 2009
Local hybrid functionals with an explicit dependence on spin polarizationAlexei V Arbuznikov, Hilke Bahmann, Martin Kaupp
Chemistry (Weinheim an Der Bergstrasse, Germany)|April 11, 2016
Construction of Giant-Spin Hamiltonians from Many-Spin Hamiltonians by Third-Order Perturbation Theory and Application to an Fe3 Cr Single-Molecule MagnetShadan Ghassemi Tabrizi, Alexei V Arbuznikov, Martin Kaupp
The Journal of Physical Chemistry. A|February 7, 2019
Hubbard Trimer with Spin-Orbit Coupling: Hartree-Fock Solutions, (Non)Collinearity, and Anisotropic Spin HamiltonianShadan Ghassemi Tabrizi, Alexei V Arbuznikov, Martin Kaupp
Pageof 26