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The last 5 uploaded publications
Metal oxidation states in biological water splitting
Vera Krewald, Marius Retegan, Nicholas J. Cox, Johannes Messinger, Wolfgang Lubitz, Serena DeBeer, Frank Neese, Dimitrios A. Pantazis (2015). Metal oxidation states in biological water splitting. Chemical Science, 6(3), pp. 1676-1695, DOI: 10.1039/c4sc03720k.
Article174 days agoTheoretical Evaluation of Structural Models of the S<sub>2</sub> State in the Oxygen Evolving Complex of Photosystem II: Protonation States and Magnetic Interactions
William Ames, Dimitrios A. Pantazis, Vera Krewald, Nicholas J. Cox, Johannes Messinger, Wolfgang Lubitz, Frank Neese (2011). Theoretical Evaluation of Structural Models of the S<sub>2</sub> State in the Oxygen Evolving Complex of Photosystem II: Protonation States and Magnetic Interactions. Journal of the American Chemical Society, 133(49), pp. 19743-19757, DOI: 10.1021/ja2041805.
Article174 days agoA five-coordinate Mn(<scp>iv</scp>) intermediate in biological water oxidation: spectroscopic signature and a pivot mechanism for water binding
Marius Retegan, Vera Krewald, Fikret Mamedov, Frank Neese, Wolfgang Lubitz, Nicholas J. Cox, Dimitrios A. Pantazis (2015). A five-coordinate Mn(<scp>iv</scp>) intermediate in biological water oxidation: spectroscopic signature and a pivot mechanism for water binding. Chemical Science, 7(1), pp. 72-84, DOI: 10.1039/c5sc03124a.
Article169 days agoSpin State as a Marker for the Structural Evolution of Nature’s Water-Splitting Catalyst
Vera Krewald, Marius Retegan, Frank Neese, Wolfgang Lubitz, Dimitrios A. Pantazis, Nicholas J. Cox (2015). Spin State as a Marker for the Structural Evolution of Nature’s Water-Splitting Catalyst. Inorganic Chemistry, 55(2), pp. 488-501, DOI: 10.1021/acs.inorgchem.5b02578.
Article169 days agoTheoretical magnetochemistry of dinuclear manganese complexes: broken symmetry density functional theory investigation on the influence of bridging motifs on structure and magnetism
Dimitrios A. Pantazis, Vera Krewald, Maylis Orio, Frank Neese (2010). Theoretical magnetochemistry of dinuclear manganese complexes: broken symmetry density functional theory investigation on the influence of bridging motifs on structure and magnetism. Dalton Transactions, 39(20), pp. 4959-4959, DOI: 10.1039/c001286f.
Article169 days ago