Publikationen von Dimitrios A. Pantazis
Alle Typen
Zeitschriftenartikel (134)
2018
Zeitschriftenartikel
8 (10), S. 9477 - 9507 (2018)
Missing Pieces in the Puzzle of Biological Water Oxidation. ACS Catalysis
Zeitschriftenartikel
14 (9), S. 4733 - 4746 (2018)
Accurate Spin-State Energetics for Aryl Carbenes. Journal of Chemical Theory and Computation 2017
Zeitschriftenartikel
139 (41), S. 14412 - 14424 (2017)
The First State in the Catalytic Cycle of the Water-Oxidizing Enzyme: Identification of a Water-Derived μ-Hydroxo Bridge. Journal of the American Chemical Society
Zeitschriftenartikel
139 (41), S. 14340 - 14343 (2017)
Differences in the Active Site of Water Oxidation among Photosynthetic Organisms. Journal of the American Chemical Society
Zeitschriftenartikel
19 (10), S. 2309 - 2325 (2017)
Structural models of the biological oxygen-evolving complex: achievements, insights, and challenges for biomimicry. Green Chemistry
Zeitschriftenartikel
56 (7), S. 3875 - 3888 (2017)
What Can We Learn from a Biomimetic Model of Nature’s Oxygen-Evolving Complex? Inorganic Chemistry 2016
Zeitschriftenartikel
45 (47), S. 18900 - 18908 (2016)
Understanding and tuning the properties of redox-accumulating manganese helicates. Dalton Transactions
Zeitschriftenartikel
35 (23), S. 3970 - 3980 (2016)
Alkene Insertions into a Ru–PR2 Bond. Organometallics
Zeitschriftenartikel
344, S. 768 - 777 (2016)
Axial ligand effect on the catalytic activity of biomimetic Fe-porphyrin catalyst: An experimental and DFT study. Journal of Catalysis
Zeitschriftenartikel
7 (10), S. 6463 - 6476 (2016)
Interaction of methanol with the oxygen-evolving complex: atomistic models, channel identification, species dependence, and mechanistic implications. Chemical Science
Zeitschriftenartikel
12 (5), S. 2272 - 2284 (2016)
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
Zeitschriftenartikel
18 (16), S. 10739 - 10750 (2016)
Redox potential tuning by redox-inactive cations in nature's water oxidizing catalyst and synthetic analogues. Physical Chemistry Chemical Physics
Zeitschriftenartikel
31 (4), S. 113 - 119 (2016)
Recent developments in biological water oxidation. Current Opinion in Chemical Biology
Zeitschriftenartikel
12 (3), S. 1148 - 1156 (2016)
Improved Segmented All-Electron Relativistically Contracted Basis Sets for the Lanthanides. Journal of Chemical Theory and Computation
Zeitschriftenartikel
55 (2), S. 488 - 501 (2016)
Spin State as a Marker for the Structural Evolution of Nature’s Water-Splitting Catalyst. Inorganic Chemistry
Zeitschriftenartikel
7 (1), S. 72 - 84 (2016)
A five-coordinate Mn(IV) intermediate in biological water oxidation: spectroscopic signature and a pivot mechanism for water binding. Chemical Science 2015
Zeitschriftenartikel
55 (11-12), S. 1219 - 1232 (2015)
Resolving the Manganese Oxidation States in the Oxygen‐evolving Catalyst of Natural Photosynthesis. Israel Journal of Chemistry
Zeitschriftenartikel
119 (43), S. 13904 - 13921 (2015)
Characterization of Oxygen Bridged Manganese Model Complexes Using Multifrequency 17O-Hyperfine EPR Spectroscopies and Density Functional Theory. The Journal of Physical Chemistry B
Zeitschriftenartikel
137 (40), S. 12815 - 12834 (2015)
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
Zeitschriftenartikel
44 (28), S. 12757 - 12770 (2015)
Calcium and heterometallic manganese–calcium complexes supported by tripodal pyridine-carboxylate ligands: structural, EPR and theoretical investigations. Dalton Transactions