Publikationen von Wolfgang Lubitz
Alle Typen
Zeitschriftenartikel (34)
2012
Zeitschriftenartikel
134 (51), S. 20745 - 20755 (2012)
A Functional [NiFe]-Hydrogenase Model Compound That Undergoes Biologically Relevant Reversible Thiolate Protonation. Journal of the American Chemical Society
Zeitschriftenartikel
17 (12), S. 1269 - 1281 (2012)
Computational study of the electronic structure and magnetic properties of the Ni–C state in [NiFe] hydrogenases including the second coordination sphere. Journal of Biological Inorganic Chemistry
Zeitschriftenartikel
51 (21), S. 11787 - 11797 (2012)
Key Hydride Vibrational Modes in [NiFe] Hydrogenase Model Compounds Studied by Resonance Raman Spectroscopy and Density Functional Calculations. Inorganic Chemistry
Zeitschriftenartikel
134 (40), S. 16619 - 16634 (2012)
Detection of the Water-Binding Sites of the Oxygen-Evolving Complex of Photosystem II Using W-Band 17O Electron–Electron Double Resonance-Detected NMR Spectroscopy. Journal of the American Chemical Society
Zeitschriftenartikel
51 (39), S. 9935 - 9940 (2012)
Two Interconvertible Structures that Explain the Spectroscopic Properties of the Oxygen‐Evolving Complex of Photosystem II in the S2 State. Angewandte Chemie International Edition 2011
Zeitschriftenartikel
133 (49), S. 19743 - 19757 (2011)
Theoretical Evaluation of Structural Models of the S2 State in the Oxygen Evolving Complex of Photosystem II: Protonation States and Magnetic Interactions. Journal of the American Chemical Society
Zeitschriftenartikel
50 (17), S. 8238 - 8251 (2011)
Electronic Structure of a Weakly Antiferromagnetically Coupled MnIIMnIII Model Relevant to Manganese Proteins: A Combined EPR, 55Mn-ENDOR, and DFT Study. Inorganic Chemistry 2008
Zeitschriftenartikel
363 (1494), S. 1167 - 1177 (2008)
Focusing the view on nature's water-splitting catalyst. Philosophical Transactions of the Royal Society of London, Series B: Biological Sciences
Zeitschriftenartikel
47 (1), S. 134 - 142 (2008)
A Systematic Density Functional Study of the Zero-Field Splitting in Mn(II) Coordination Compounds. Inorganic Chemistry 2005
Zeitschriftenartikel
10 (5), S. 231 - 238 (2005)
Dimanganese catalase—spectroscopic parameters from broken-symmetry density functional theory of the superoxidized MnIII/MnIV state. Journal of Biological Inorganic Chemistry
Zeitschriftenartikel
33 (1), S. 7 - 11 (2005)
EPR experiments to elucidate the structure of the ready and unready states of the [NiFe] hydrogenase of Desulfovibrio vulgaris Miyazaki F. Biochemical Society Transactions 2004
Zeitschriftenartikel
126 (8), S. 2613 - 2622 (2004)
Calculating the Electron Paramagnetic Resonance Parameters of Exchange Coupled Transition Metal Complexes Using Broken Symmetry Density Functional Theory: Application to a MnIII/MnIV Model Compound. Journal of the American Chemical Society
Zeitschriftenartikel
126 (10), S. 3280 - 3290 (2004)
Hydrogen Bond Geometries from Electron Paramagnetic Resonance and Electron−Nuclear Double Resonance Parameters: Density Functional Study of Quinone Radical Anion−Solvent Interactions. Journal of the American Chemical Society
Zeitschriftenartikel
126 (7), S. 2237 - 2246 (2004)
Electronic Structure of the Cysteine Thiyl Radical: A DFT and Correlated ab Initio Study. Journal of the American Chemical Society Buchkapitel (1)
2014
Buchkapitel
Oxygen‐evolving Photosystem II. In: Encyclopedia of Inorganic and Bioinorganic Chemistry (Hg. Scott, R. A.; Messerschmid, A.; Nicolet, Y.). John Wiley & Sons, Hoboken (2014)