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The Journal of Physical Chemistry Letters
|
June 30, 2026
Revisiting the C60ISO and iso-C60 Data Sets of Relative Energies for C<sub>60</sub> Isomers
Marc Reimann, Martin Kaupp
The Journal of Chemical Physics
|
November 29, 2014
Towards improved local hybrid functionals by calibration of exchange-energy densities
Alexei V Arbuznikov, Martin Kaupp
Journal of Chemical Theory and Computation
|
November 19, 2021
Extended Benchmark Set of Main-Group Nuclear Shielding Constants and NMR Chemical Shifts and Its Use to Evaluate Modern DFT Methods
Caspar Jonas Schattenberg, Martin Kaupp
The Journal of Chemical Physics
|
January 14, 2012
Importance of the correlation contribution for local hybrid functionals: range separation and self-interaction corrections
Alexei V Arbuznikov, Martin Kaupp
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
November 24, 2006
Hyperfine coupling tensors of the benzosemiquinone radical anion from Car-Parrinello molecular dynamics
James R Asher, Martin Kaupp
The Journal of Chemical Physics
|
June 10, 2008
What can we learn from the adiabatic connection formalism about local hybrid functionals?
Alexei V Arbuznikov, Martin Kaupp
Journal of Chemical Theory and Computation
|
November 27, 2015
Coupled-Perturbed Scheme for the Calculation of Electronic g-Tensors with Local Hybrid Functionals
Alexei V Arbuznikov, Martin Kaupp
Journal of Chemical Theory and Computation
|
February 25, 2021
Effect of the Current Dependence of Tau-Dependent Exchange-Correlation Functionals on Nuclear Shielding Calculations
Caspar Jonas Schattenberg, Martin Kaupp
The Journal of Physical Chemistry. A
|
March 18, 2021
Implementation and Validation of Local Hybrid Functionals with Calibrated Exchange-Energy Densities for Nuclear Shielding Constants
Caspar Jonas Schattenberg, Martin Kaupp
The Journal of Chemical Physics
|
September 4, 2009
On the self-consistent implementation of general occupied-orbital dependent exchange-correlation functionals with application to the B05 functional
Alexei V Arbuznikov, Martin Kaupp
Page
of 26
Search research articles
Search
Showing results (31-40 of 255) with videos related to
Sort By:
Page
of 26
The Journal of Physical Chemistry Letters
|
June 30, 2026
Revisiting the C60ISO and iso-C60 Data Sets of Relative Energies for C<sub>60</sub> Isomers
Marc Reimann, Martin Kaupp
The Journal of Chemical Physics
|
November 29, 2014
Towards improved local hybrid functionals by calibration of exchange-energy densities
Alexei V Arbuznikov, Martin Kaupp
Journal of Chemical Theory and Computation
|
November 19, 2021
Extended Benchmark Set of Main-Group Nuclear Shielding Constants and NMR Chemical Shifts and Its Use to Evaluate Modern DFT Methods
Caspar Jonas Schattenberg, Martin Kaupp
The Journal of Chemical Physics
|
January 14, 2012
Importance of the correlation contribution for local hybrid functionals: range separation and self-interaction corrections
Alexei V Arbuznikov, Martin Kaupp
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
November 24, 2006
Hyperfine coupling tensors of the benzosemiquinone radical anion from Car-Parrinello molecular dynamics
James R Asher, Martin Kaupp
The Journal of Chemical Physics
|
June 10, 2008
What can we learn from the adiabatic connection formalism about local hybrid functionals?
Alexei V Arbuznikov, Martin Kaupp
Journal of Chemical Theory and Computation
|
November 27, 2015
Coupled-Perturbed Scheme for the Calculation of Electronic g-Tensors with Local Hybrid Functionals
Alexei V Arbuznikov, Martin Kaupp
Journal of Chemical Theory and Computation
|
February 25, 2021
Effect of the Current Dependence of Tau-Dependent Exchange-Correlation Functionals on Nuclear Shielding Calculations
Caspar Jonas Schattenberg, Martin Kaupp
The Journal of Physical Chemistry. A
|
March 18, 2021
Implementation and Validation of Local Hybrid Functionals with Calibrated Exchange-Energy Densities for Nuclear Shielding Constants
Caspar Jonas Schattenberg, Martin Kaupp
The Journal of Chemical Physics
|
September 4, 2009
On the self-consistent implementation of general occupied-orbital dependent exchange-correlation functionals with application to the B05 functional
Alexei V Arbuznikov, Martin Kaupp
Page
of 26