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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 dynamicsJames R Asher, Martin KauppThe Journal of Chemical Physics|June 10, 2008
What can we learn from the adiabatic connection formalism about local hybrid functionals?Alexei V Arbuznikov, Martin KauppJournal of Chemical Theory and Computation|November 27, 2015
Coupled-Perturbed Scheme for the Calculation of Electronic g-Tensors with Local Hybrid FunctionalsAlexei V Arbuznikov, Martin KauppJournal of Chemical Theory and Computation|February 25, 2021
Effect of the Current Dependence of Tau-Dependent Exchange-Correlation Functionals on Nuclear Shielding CalculationsCaspar Jonas Schattenberg, Martin KauppThe Journal of Physical Chemistry. A|March 18, 2021
Implementation and Validation of Local Hybrid Functionals with Calibrated Exchange-Energy Densities for Nuclear Shielding ConstantsCaspar Jonas Schattenberg, Martin KauppScience Advances|September 29, 2021
Novel synthetic pathway for the production of phosgenePatrick Voßnacker, Alisa Wüst, Thomas Keilhack, et al.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 functionalAlexei V Arbuznikov, Martin KauppThe 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 KauppThe 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 KauppInorganic 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 KauppPageof 26