1. Excitation energies of metal complexes with time-dependent density functional theory;Rosa,2004
2. The calculation of NMR parameters in transition metal complexes;Autschbach,2004
3. Relativistic calculation of spin–spin coupling constants,;Autschbach,2004
4. Double perturbation theory: a powerful tool in computational coordination chemistry
5. Calculation of heavy-nucleus chemical shifts: relativistic all-electron methods;Autschbach,2004