| All-electron scalar relativistic basis sets for third-row transition metal atoms DA Pantazis, XY Chen, CR Landis, F Neese Journal of chemical theory and computation 4 (6), 908-919, 2008 | 1410 | 2008 |
| Density functional theory M Orio, DA Pantazis, F Neese Photosynthesis research 102, 443-453, 2009 | 585 | 2009 |
| Electronic structure of the oxygen-evolving complex in photosystem II prior to OO bond formation N Cox, M Retegan, F Neese, DA Pantazis, A Boussac, W Lubitz Science 345 (6198), 804-808, 2014 | 560 | 2014 |
| Biological water oxidation N Cox, DA Pantazis, F Neese, W Lubitz Accounts of chemical research 46 (7), 1588-1596, 2013 | 552 | 2013 |
| Geometries of third-row transition-metal complexes from density-functional theory M Buhl, C Reimann, DA Pantazis, T Bredow, F Neese Journal of chemical theory and computation 4 (9), 1449-1459, 2008 | 523 | 2008 |
| What is not required to make a single molecule magnet F Neese, DA Pantazis Faraday discussions 148, 229-238, 2011 | 447 | 2011 |
| Two Interconvertible Structures that Explain the Spectroscopic Properties of the Oxygen‐Evolving Complex of Photosystem II in the S2 State DA Pantazis, W Ames, N Cox, W Lubitz, F Neese Angewandte Chemie International Edition 51 (39), 9935-9940, 2012 | 428 | 2012 |
| All-electron scalar relativistic basis sets for the lanthanides DA Pantazis, F Neese Journal of chemical theory and computation 5 (9), 2229-2238, 2009 | 397 | 2009 |
| All-electron scalar relativistic basis sets for the actinides DA Pantazis, F Neese Journal of chemical theory and computation 7 (3), 677-684, 2011 | 364 | 2011 |
| Metal oxidation states in biological water splitting V Krewald, M Retegan, N Cox, J Messinger, W Lubitz, S DeBeer, F Neese, ... Chemical Science 6 (3), 1676-1695, 2015 | 344 | 2015 |
| Theoretical Evaluation of Structural Models of the S2 State in the Oxygen Evolving Complex of Photosystem II: Protonation States and Magnetic Interactions W Ames, DA Pantazis, V Krewald, N Cox, J Messinger, W Lubitz, F Neese Journal of the American Chemical Society 133 (49), 19743-19757, 2011 | 319 | 2011 |
| Effect of Ca2+/Sr2+ Substitution on the Electronic Structure of the Oxygen-Evolving Complex of Photosystem II: A Combined Multifrequency EPR, 55Mn-ENDOR, and DFT … N Cox, L Rapatskiy, JH Su, DA Pantazis, M Sugiura, L Kulik, P Dorlet, ... Journal of the American Chemical Society 133 (10), 3635-3648, 2011 | 252 | 2011 |
| A five-coordinate Mn (IV) intermediate in biological water oxidation: spectroscopic signature and a pivot mechanism for water binding M Retegan, V Krewald, F Mamedov, F Neese, W Lubitz, N Cox, ... Chemical Science 7 (1), 72-84, 2016 | 198 | 2016 |
| All‐electron scalar relativistic basis sets for the elements Rb–Xe JD Rolfes, F Neese, DA Pantazis Journal of Computational Chemistry 41 (20), 1842-1849, 2020 | 191 | 2020 |
| All-electron scalar relativistic basis sets for the 6p elements DA Pantazis, F Neese Theoretical Chemistry Accounts 131, 1-7, 2012 | 182 | 2012 |
| Ammonia binding to the oxygen-evolving complex of photosystem II identifies the solvent-exchangeable oxygen bridge (μ-oxo) of the manganese tetramer M Pérez Navarro, WM Ames, H Nilsson, T Lohmiller, DA Pantazis, ... Proceedings of the National Academy of Sciences 110 (39), 15561-15566, 2013 | 175 | 2013 |
| Detailed ab initio first-principles study of the magnetic anisotropy in a family of trigonal pyramidal iron (II) pyrrolide complexes M Atanasov, D Ganyushin, DA Pantazis, K Sivalingam, F Neese Inorganic Chemistry 50 (16), 7460-7477, 2011 | 174 | 2011 |
| Missing pieces in the puzzle of biological water oxidation DA Pantazis ACS Catalysis 8 (10), 9477-9507, 2018 | 173 | 2018 |
| Improved segmented all-electron relativistically contracted basis sets for the lanthanides D Aravena, F Neese, DA Pantazis Journal of chemical theory and computation 12 (3), 1148-1156, 2016 | 168 | 2016 |
| Current understanding of the mechanism of water oxidation in photosystem II and its relation to XFEL data N Cox, DA Pantazis, W Lubitz Annual review of biochemistry 89 (1), 795-820, 2020 | 164 | 2020 |
Frank NeeseMax Planck Institute für KohlenforschungDirección de correo verificada de kofo.mpg.de