| 1 |
Electronic Structure of the Quinone Radical Anion A(1)(center dot-) of Photosystem I Investigated by Advanced Pulse EPR and ENDOR Techniques
Niklas J, Epel B, Antonkine ML, Sinnecker S, Pandelia ME, Lubitz W
Journal of Physical Chemistry B, 113(30), 10367, 2009 |
| 2 |
Spectroscopic and computational evaluation of the structure of the high-spin Fe(IV)-oxo intermediates in taurine: alpha-Ketoglutarate dioxygenase from Escherichia coli and its His99Ala ligand variant
Sinnecker S, Svensen N, Barr EW, Ye S, Bollinger JM, Neese F, Krebs C
Journal of the American Chemical Society, 129(19), 6168, 2007 |
| 3 |
Calculation of solvent shifts on electronic g-tensors with the conductor-like screening model (COSMO) and its self-consistent generalization to real solvents (Direct COSMO-RS)
Sinnecker S, Rajendran A, Klamt A, Diedenhofen M, Neese F
Journal of Physical Chemistry A, 110(6), 2235, 2006 |
| 4 |
Spin-spin contributions to the zero-field splitting tensor in organic triplets, carbenes and biradicalss - A density functional and ab initio study
Sinnecker S, Neese F
Journal of Physical Chemistry A, 110(44), 12267, 2006 |
| 5 |
Phylloquinone and related radical anions studied by pulse electron nuclear double resonance spectroscopy at 34 GHz and density functional theory
Epel B, Niklas J, Sinnecker S, Zimmermann H, Lubitz W
Journal of Physical Chemistry B, 110(23), 11549, 2006 |
| 6 |
Performance of nonrelativistic and quasi-relativistic hybrid DFT for the prediction of electric and magnetic hyperfine parameters in Fe-57 Mossbauer spectra
Sinnecker S, Slep LD, Bill E, Neese F
Inorganic Chemistry, 44(7), 2245, 2005 |
| 7 |
Calculating the electron paramagnetic resonance parameters of exchange coupled transition metal complexes using broken symmetry density functional theory: Application to a Mn-III/Mn-IV model compound
Sinnecker S, Neese F, Noodleman L, Lubitz W
Journal of the American Chemical Society, 126(8), 2613, 2004 |
| 8 |
Hydrogen bond geometries from electron paramagnetic resonance and electron-nuclear double resonance parameters: Density functional study of quinone radical anion-solvent interactions
Sinnecker S, Reijerse E, Neese F, Lubitz W
Journal of the American Chemical Society, 126(10), 3280, 2004 |
| 9 |
Chlorophyll a radical ions: A density functional study
Sinnecker S, Koch W, Lubitz W
Journal of Physical Chemistry B, 106(20), 5281, 2002 |
| 10 |
CS2 fixation by carbonic anhydrase model systems - A new substrate in the catalytic cycle
Sinnecker S, Brauer M, Koch W, Anders E
Inorganic Chemistry, 40(5), 1006, 2001 |
