| 1 |
Understanding the EPR parameters of glycine-derived radicals: The case of N-acetylglycyl in the N-acetylglycine single-crystal environment
Kacprzak S, Reviakine R, Kaupp M
Journal of Physical Chemistry B, 111(4), 811, 2007 |
| 2 |
Understanding the electon paramagnetic resonance parameters of protein-bound glycyl radicals
Kacprzak S, Reviakine R, Kaupp M
Journal of Physical Chemistry B, 111(4), 820, 2007 |
| 3 |
Density functional study of EPR parameters and spin-density distribution of azurin and other blue copper proteins
Remenyi C, Reviakine R, Kaupp M
Journal of Physical Chemistry B, 111(28), 8290, 2007 |
| 4 |
Density functional study of electron paramagnetic resonance parameters and spin density distributions of dicopper(I) complexes with bridging azo and tetrazine radical-anion ligands
Remenyi C, Reviakine R, Kaupp M
Journal of Physical Chemistry A, 110(11), 4021, 2006 |
| 5 |
Spin-orbit effects on hyperfine coupling tensors in transition metal complexes using hybrid density functionals and accurate spin-orbit operators
Remenyi C, Reviakine R, Arbuznikov AV, Vaara J, Kaupp M
Journal of Physical Chemistry A, 108(23), 5026, 2004 |
| 6 |
Analysis of aromatic delocalization: Individual molecular orbital contributions to nucleus-independent chemical shifts
Heine T, Schleyer PV, Corminboeuf C, Seifert G, Reviakine R, Weber J
Journal of Physical Chemistry A, 107(33), 6470, 2003 |
| 7 |
g tensor and spin density of the modified tyrosyl radical in galactose oxidase: A density functional study
Kaupp M, Gress T, Reviakine R, Malkina OL, Malkin VG
Journal of Physical Chemistry B, 107(1), 331, 2003 |
