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Martin Kaupp

Showing results (61-70 of 255) with videos related to

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Chemistry (Weinheim an Der Bergstrasse, Germany)|March 1, 2005
Can weakly coordinating anions stabilize mercury in its oxidation state +IV?Sebastian Riedel, Michal Straka, Martin Kaupp
Journal of the American Chemical Society|February 24, 2005
Understanding structure and bonding in early actinide 6d(0)5f0 MX6q (M = Th-Np; X = H, F) complexes in comparison with their transition metal 5d0 analoguesMichal Straka, Peter Hrobárik, Martin Kaupp
Journal of the American Chemical Society|April 28, 2006
Protein-cofactor interactions and EPR parameters for the Q(H) quinone binding site of quinol oxidase. A density functional studySylwia Kacprzak, Martin Kaupp, Fraser MacMillan
The Journal of Physical Chemistry. A|March 17, 2006
Density functional study of electron paramagnetic resonance parameters and spin density distributions of dicopper(I) complexes with bridging azo and tetrazine radical-anion ligandsChristian Remenyi, Roman Reviakine, Martin Kaupp
Journal of Chemical Theory and Computation|November 18, 2015
Validation of the direct-COSMO-RS solvent model for Diels-Alder reactions in aqueous solutionKolja Theilacker, David Buhrke, Martin Kaupp
Journal of Chemical Theory and Computation|June 7, 2018
MVO-10: A Gas-Phase Oxide Benchmark for Localization/Delocalization in Mixed-Valence SystemsSascha Klawohn, Martin Kaupp, Amir Karton
The Journal of Chemical Physics|June 16, 2006
From local hybrid functionals to "localized local hybrid" potentials: formalism and thermochemical testsAlexei V Arbuznikov, Martin Kaupp, Hilke Bahmann
The Journal of Chemical Physics|July 23, 2004
Relativistic spin-orbit effects on hyperfine coupling tensors by density-functional theoryAlexei V Arbuznikov, Juha Vaara, Martin Kaupp
The Journal of Chemical Physics|November 27, 2007
Local hybrid functionals: an assessment for thermochemical kineticsMartin Kaupp, Hilke Bahmann, Alexei V Arbuznikov
The Journal of Chemical Physics|October 23, 2024
Suppressing the gauge problem in local hybrid functionals without a calibration function: The choice of local mixing functionAlexei V Arbuznikov, Artur Wodyński, Martin Kaupp
Pageof 26

Showing results (61-70 of 255) with videos related to

Sort By:
Pageof 26
Chemistry (Weinheim an Der Bergstrasse, Germany)|March 1, 2005
Can weakly coordinating anions stabilize mercury in its oxidation state +IV?Sebastian Riedel, Michal Straka, Martin Kaupp
Journal of the American Chemical Society|February 24, 2005
Understanding structure and bonding in early actinide 6d(0)5f0 MX6q (M = Th-Np; X = H, F) complexes in comparison with their transition metal 5d0 analoguesMichal Straka, Peter Hrobárik, Martin Kaupp
Journal of the American Chemical Society|April 28, 2006
Protein-cofactor interactions and EPR parameters for the Q(H) quinone binding site of quinol oxidase. A density functional studySylwia Kacprzak, Martin Kaupp, Fraser MacMillan
The Journal of Physical Chemistry. A|March 17, 2006
Density functional study of electron paramagnetic resonance parameters and spin density distributions of dicopper(I) complexes with bridging azo and tetrazine radical-anion ligandsChristian Remenyi, Roman Reviakine, Martin Kaupp
Journal of Chemical Theory and Computation|November 18, 2015
Validation of the direct-COSMO-RS solvent model for Diels-Alder reactions in aqueous solutionKolja Theilacker, David Buhrke, Martin Kaupp
Journal of Chemical Theory and Computation|June 7, 2018
MVO-10: A Gas-Phase Oxide Benchmark for Localization/Delocalization in Mixed-Valence SystemsSascha Klawohn, Martin Kaupp, Amir Karton
The Journal of Chemical Physics|June 16, 2006
From local hybrid functionals to "localized local hybrid" potentials: formalism and thermochemical testsAlexei V Arbuznikov, Martin Kaupp, Hilke Bahmann
The Journal of Chemical Physics|July 23, 2004
Relativistic spin-orbit effects on hyperfine coupling tensors by density-functional theoryAlexei V Arbuznikov, Juha Vaara, Martin Kaupp
The Journal of Chemical Physics|November 27, 2007
Local hybrid functionals: an assessment for thermochemical kineticsMartin Kaupp, Hilke Bahmann, Alexei V Arbuznikov
The Journal of Chemical Physics|October 23, 2024
Suppressing the gauge problem in local hybrid functionals without a calibration function: The choice of local mixing functionAlexei V Arbuznikov, Artur Wodyński, Martin Kaupp
Pageof 26