Publications

Krewald, V.; Pantazis, D. A. Understanding and Tuning the Properties of Redox-Accumulating Manganese Helicates. Dalton Transactions 2016, 45, 18900–18908.

Burton, K. M. E.; Pantazis, D. A.; Belli, R. G.; McDonald, R.; Rosenberg, L. Alkene Insertions into a Ru–PR₂ Bond. Organometallics 2016, 35, 3970–3980.

Christoforidis, K. C.; Pantazis, D. A.; Bonilla, L. L.; Bletsa, E.; Louloudi, M.; Deligiannakis, Y. Axial Ligand Effect on the Catalytic Activity of Biomimetic Fe-Porphyrin Catalyst: An Experimental and DFT Study. Journal of Catalysis 2016, 344, 768–777.

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.

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.

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.

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.

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.

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.

Retegan, M.; Krewald, V.; Mamedov, F.; 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.

Krewald, V.; Retegan, M.; Pantazis, D. A. Principles of Natural Photosynthesis; Tüysüz, H., Chan, C. K., Eds.; Tüysüz, H., Chan, C. K., Series Eds.; Topics in Current Chemistry 371-Solar Energy for Fuels; Springer: Cham, 2016; Vol. 371, pp 23–48.