Martin Kaupp

Publication Activity (10 Years)

Years Active: 1999-2023
Publications (10 Years): 2

Top Topics

Electron Microscopy

Knowledge Transfer

Gene Expression Data

Top Venues

J. Comput. Chem.

Publications

Matthias Haasler, Toni M. Maier, Martin Kaupp
Toward a correct treatment of core properties with local hybrid functionals. J. Comput. Chem. 44 (32) (2023)
Martin Kaupp, Simon Gückel, Manuel Renz, Sascha Klawohn, Kolja Theilacker, Matthias Parthey, Christoph Lambert
Electron transfer pathways in mixed-valence paracyclophane-bridged bis-triarylamine radical cations. J. Comput. Chem. 37 (1) (2016)
Kathrin Götz, Florian Meier, Carlo Gatti, Asbjörn M. Burow, Marek Sierka, Joachim Sauer, Martin Kaupp
Modeling environmental effects on charge density distributions in polar organometallics: Validation of embedded cluster models for the methyl lithium crystal. J. Comput. Chem. 31 (14) (2010)
Martin Kaupp
The role of radial nodes of atomic orbitals for chemical bonding and the periodic table. J. Comput. Chem. 28 (1) (2007)
Martin Kaupp, Roman Reviakine, Olga L. Malkina, Alexei Arbuznikov, Bernd Schimmelpfennig, Vladimir G. Malkin
Calculation of electronic g-tensors for transition metal complexes using hybrid density functionals and atomic meanfield spin-orbit operators. J. Comput. Chem. 23 (8) (2002)
Martin Kaupp, Olga L. Malkina, Vladimir G. Malkin
The role of -type nonbonding orbitals for spin-orbit induced NMR chemical shifts: DFT study of 13C and 19F shifts in the series CF3IFn (n=0, 2, 4, 6). J. Comput. Chem. 20 (12) (1999)
Michael Bühl, Martin Kaupp, Olga L. Malkina, Vladimir G. Malkin
The DFT route to NMR chemical shifts. J. Comput. Chem. 20 (1) (1999)