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)

Further insights in the ability of classical nonadditive potentials to model actinide ion-water interactions. - Florent Réal; Michael Trumm; Bernd Schimmelpfennig; Michel Masella; Valérie Vallet (J. Comput. Chem., 2013)