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Alexei V Arbuznikov

Showing results (11-20 of 29) with videos related to

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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
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 Physical Chemistry. A|August 3, 2016
Understanding Thermodynamic and Spectroscopic Properties of Tetragonal Mn12 Single-Molecule Magnets from Combined Density Functional Theory/Spin-Hamiltonian CalculationsShadan Ghassemi Tabrizi, Alexei V Arbuznikov, Martin Kaupp
The Journal of Chemical Physics|January 11, 2007
A thermochemically competitive local hybrid functional without gradient correctionsHilke Bahmann, Alexander Rodenberg, Alexei V Arbuznikov, et al.
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
Chemistry (Weinheim an Der Bergstrasse, Germany)|January 19, 2018
Exact Mapping from Many-Spin Hamiltonians to Giant-Spin HamiltoniansShadan Ghassemi Tabrizi, Alexei V Arbuznikov, Martin Kaupp
The Journal of Physical Chemistry. A|July 14, 2011
Evaluation of a combination of local hybrid functionals with DFT-D3 corrections for the calculation of thermochemical and kinetic dataKolja Theilacker, Alexei V Arbuznikov, Hilke Bahmann, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|November 25, 2011
Computation of hyperfine tensors for dinuclear Mn(III) Mn(IV) complexes by broken-symmetry approaches: anisotropy transfer induced by local zero-field splittingJohannes Schraut, Alexei V Arbuznikov, Sandra Schinzel, et al.
Physical Chemistry Chemical Physics : PCCP|April 16, 2016
New approaches for the calibration of exchange-energy densities in local hybrid functionalsToni M Maier, Matthias Haasler, Alexei V Arbuznikov, et al.
Pageof 3

Showing results (11-20 of 29) with videos related to

Sort By:
Pageof 3
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
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 Physical Chemistry. A|August 3, 2016
Understanding Thermodynamic and Spectroscopic Properties of Tetragonal Mn12 Single-Molecule Magnets from Combined Density Functional Theory/Spin-Hamiltonian CalculationsShadan Ghassemi Tabrizi, Alexei V Arbuznikov, Martin Kaupp
The Journal of Chemical Physics|January 11, 2007
A thermochemically competitive local hybrid functional without gradient correctionsHilke Bahmann, Alexander Rodenberg, Alexei V Arbuznikov, et al.
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
Chemistry (Weinheim an Der Bergstrasse, Germany)|January 19, 2018
Exact Mapping from Many-Spin Hamiltonians to Giant-Spin HamiltoniansShadan Ghassemi Tabrizi, Alexei V Arbuznikov, Martin Kaupp
The Journal of Physical Chemistry. A|July 14, 2011
Evaluation of a combination of local hybrid functionals with DFT-D3 corrections for the calculation of thermochemical and kinetic dataKolja Theilacker, Alexei V Arbuznikov, Hilke Bahmann, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|November 25, 2011
Computation of hyperfine tensors for dinuclear Mn(III) Mn(IV) complexes by broken-symmetry approaches: anisotropy transfer induced by local zero-field splittingJohannes Schraut, Alexei V Arbuznikov, Sandra Schinzel, et al.
Physical Chemistry Chemical Physics : PCCP|April 16, 2016
New approaches for the calibration of exchange-energy densities in local hybrid functionalsToni M Maier, Matthias Haasler, Alexei V Arbuznikov, et al.
Pageof 3