Roman Reviakine

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 et al. · Journal of Computational Chemistry · 2002 · 183 citations

Natural Sciences, Chemistry, Physics +17

Analysis of Aromatic Delocalization:  Individual Molecular Orbital Contributions to Nucleus-Independent Chemical Shifts

Thomas Heine, Paul von Ragué Schleyer, Clémence Corminbœuf et al. · The Journal of Physical Chemistry A · 2003 · 159 citations · Full text

Natural Sciences, Chemistry, Physics +14

Density functional calculations of NMR shielding tensors for paramagnetic systems with arbitrary spin multiplicity: Validation on 3d metallocenes

Peter Hrobárik, Roman Reviakine, Alexei V. Arbuznikov et al. · The Journal of Chemical Physics · 2007 · 113 citations

Natural Sciences, Chemistry, Physics +17

Validation study of meta-GGA functionals and of a model exchange–correlation potential in density functional calculations of EPR parameters

Alexei V. Arbuznikov, Martin Kaupp, Vladimir G. Malkin et al. · Physical Chemistry Chemical Physics · 2002 · 73 citations

Natural Sciences, Chemistry, Physics +17

Calculation of zero-field splitting parameters: Comparison of a two-component noncolinear spin-density-functional method and a one-component perturbational approach

Roman Reviakine, Alexei V. Arbuznikov, Jean Christophe Tremblay et al. · The Journal of Chemical Physics · 2006 · 73 citations

Natural Sciences, Chemistry, Physics +15