The DFT route to NMR chemical shifts. - Michael Bühl; Martin Kaupp; Olga L. Malkina; Vladimir G. Malkin (J. Comput. Chem., 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)

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)

Implementation of the diagonalization-free algorithm in the self-consistent field procedure within the four-component relativistic scheme. - Marcela Hrdá; Tomás Kulich; Michal Repiský; Jozef Noga; Olga L. Malkina; Vladimir G. Malkin (J. Comput. Chem., 2014)