Martin Kaupp

According to our database, Martin Kaupp authored at least 7 papers between 1999 and 2023.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2023

Toward a correct treatment of core properties with local hybrid functionals.

Matthias Haasler, Toni M. Maier, Martin Kaupp

J. Comput. Chem., 2023

2016

Electron transfer pathways in mixed-valence paracyclophane-bridged bis-triarylamine radical cations.

Martin Kaupp, Simon Gückel, Manuel Renz, Sascha Klawohn, Kolja Theilacker, Matthias Parthey, Christoph Lambert

J. Comput. Chem., 2016

2010

Modeling environmental effects on charge density distributions in polar organometallics: Validation of embedded cluster models for the methyl lithium crystal.

Kathrin Götz, Florian Meier, Carlo Gatti, Asbjörn M. Burow, Marek Sierka, Joachim Sauer, Martin Kaupp

J. Comput. Chem., 2010

2007

The role of radial nodes of atomic orbitals for chemical bonding and the periodic table.

Martin Kaupp

J. Comput. Chem., 2007

2002

Calculation of electronic g-tensors for transition metal complexes using hybrid density functionals and atomic meanfield spin-orbit operators.

Martin Kaupp, Roman Reviakine, Olga L. Malkina, Alexei Arbuznikov, Bernd Schimmelpfennig, Vladimir G. Malkin

J. Comput. Chem., 2002

1999

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).

Martin Kaupp, Olga L. Malkina, Vladimir G. Malkin

J. Comput. Chem., 1999

The DFT route to NMR chemical shifts.

Michael Bühl, Martin Kaupp, Olga L. Malkina, Vladimir G. Malkin

J. Comput. Chem., 1999