Publikationen von Dimitrios A. Pantazis
Alle Typen
Zeitschriftenartikel (149)
2017
Zeitschriftenartikel
Paul, S.; Cox, N.; Pantazis, D. A. What Can We Learn from a Biomimetic Model of Nature’s Oxygen-Evolving Complex? Inorganic Chemistry 2017, 56, 3875–3888.
2016
Zeitschriftenartikel
Krewald, V.; Pantazis, D. A. Understanding and tuning the properties of redox-accumulating manganese helicates. Dalton Transactions 2016, 45, 18900–18908.
Zeitschriftenartikel
Pantazis, D. A.; ; ; Alkene Insertions into a Ru–PR2 Bond. Organometallics 2016, 35, 3970–3980.
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Zeitschriftenartikel
Pantazis, D. A.; ; ; ; Axial ligand effect on the catalytic activity of biomimetic Fe-porphyrin catalyst: An experimental and DFT study. Journal of Catalysis 2016, 344, 768–777.
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Zeitschriftenartikel
Retegan, M.; Pantazis, D. A. Interaction of methanol with the oxygen-evolving complex: atomistic models, channel identification, species dependence, and mechanistic implications. Chemical Science 2016, 7, 6463–6476.
Zeitschriftenartikel
Isegawa, M.; Neese, F.; Pantazis, D. A. Ionization Energies and Aqueous Redox Potentials of Organic Molecules: Comparison of DFT, Correlated ab Initio Theory and Pair Natural Orbital Approaches. Journal of Chemical Theory and Computation 2016, 12, 2272–2284.
Zeitschriftenartikel
Krewald, V.; Neese, F.; Pantazis, D. A. Redox potential tuning by redox-inactive cations in nature's water oxidizing catalyst and synthetic analogues. Physical Chemistry Chemical Physics 2016, 18, 10739–10750.
Zeitschriftenartikel
Pérez-Navarro, M.; Neese, F.; Lubitz, W.; Pantazis, D. A.; Cox, N. Recent developments in biological water oxidation. Current Opinion in Chemical Biology 2016, 31, 113–119.
Zeitschriftenartikel
Aravena, D.; Neese, F.; Pantazis, D. A. Improved Segmented All-Electron Relativistically Contracted Basis Sets for the Lanthanides. Journal of Chemical Theory and Computation 2016, 12, 1148–1156.
Zeitschriftenartikel
Krewald, V.; Retegan, M.; Neese, F.; Lubitz, W.; Pantazis, D. A.; Cox, N. Spin State as a Marker for the Structural Evolution of Nature’s Water-Splitting Catalyst. Inorganic Chemistry 2016, 55, 488–501.
Zeitschriftenartikel
Retegan, M.; Krewald, V.; ; Neese, F.; Lubitz, W.; Cox, N.; Pantazis, D. A. A five-coordinate Mn(IV) intermediate in biological water oxidation: spectroscopic signature and a pivot mechanism for water binding. Chemical Science 2016, 7, 72–84.
2015
Zeitschriftenartikel
Krewald, V.; Neese, F.; Pantazis, D. A. Resolving the Manganese Oxidation States in the Oxygen‐evolving Catalyst of Natural Photosynthesis. Israel Journal of Chemistry 2015, 55, 1219–1232.
Zeitschriftenartikel
Rapatskiy, L.; Ames, W. M.; Pérez-Navarro, M.; Savitsky, A.; ; Weyhermüller, T.; Shafaat, H. S.; ; Neese, F.; Pantazis, D. A.; Cox, N. Characterization of Oxygen Bridged Manganese Model Complexes Using Multifrequency 17O-Hyperfine EPR Spectroscopies and Density Functional Theory. The Journal of Physical Chemistry B 2015, 119, 13904–13921.
Zeitschriftenartikel
Beckwith, M. A.; Ames, W.; ; Krewald, V.; Pantazis, D. A.; ; ; ; ; ; ; ; Neese, F.; DeBeer, S. How Accurately Can Extended X-ray Absorption Spectra Be Predicted from First Principles? Implications for Modeling the Oxygen-Evolving Complex in Photosystem II. Journal of the American Chemical Society 2015, 137, 12815–12834.
Zeitschriftenartikel
Pantazis, D. A.; Neese, F.; ; ; ; Calcium and heterometallic manganese–calcium complexes supported by tripodal pyridine-carboxylate ligands: structural, EPR and theoretical investigations. Dalton Transactions 2015, 44, 12757–12770.
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Pollock, C. J.; DeBeer, S.; Retegan, M.; Pantazis, D. A.; Neese, F.; ; ; Dioxygen Activation and Catalytic Reduction to Hydrogen Peroxide by a Thiolate-Bridged Dimanganese(II) Complex with a Pendant Thiol. Journal of the American Chemical Society 2015, 137, 8644–8653.
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Zeitschriftenartikel
Cox, N.; Pantazis, D. A.; Neese, F.; Lubitz, W. Artificial photosynthesis: understanding water splitting in nature. Interface Focus 2015, 5, 20150009.
Zeitschriftenartikel
Krewald, V.; Retegan, M.; Cox, N.; ; Lubitz, W.; DeBeer, S.; Neese, F.; Pantazis, D. A. Metal oxidation states in biological water splitting. Chemical Science 2015, 6, 1676–1695.
2014
Zeitschriftenartikel
Retegan, M.; Cox, N.; Pantazis, D. A.; Neese, F. A First-Principles Approach to the Calculation of the on-Site Zero-Field Splitting in Polynuclear Transition Metal Complexes. Inorganic Chemistry 2014, 53, 11785–11793.
Zeitschriftenartikel
Shafaat, H. S.; ; Pantazis, D. A.; ; ; ; ; ; Neese, F.; Lubitz, W.; ; Cox, N. Electronic Structural Flexibility of Heterobimetallic Mn/Fe Cofactors: R2lox and R2c Proteins. Journal of the American Chemical Society 2014, 136, 13399–13409.