| 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 | 1030 | 2008 |
| Biological water oxidation N Cox, DA Pantazis, F Neese, W Lubitz Accounts of chemical research 46 (7), 1588-1596, 2013 | 481 | 2013 |
| 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 | 455 | 2014 |
| 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 | 420 | 2008 |
| 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 | 358 | 2012 |
| What is not required to make a single molecule magnet F Neese, DA Pantazis Faraday discussions 148, 229-238, 2011 | 345 | 2011 |
| 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 | 291 | 2011 |
| All-electron scalar relativistic basis sets for the lanthanides DA Pantazis, F Neese Journal of chemical theory and computation 5 (9), 2229-2238, 2009 | 290 | 2009 |
| Density functional theory M Orio, DA Pantazis, F Neese Photosynthesis research 102 (2), 443-453, 2009 | 281 | 2009 |
| 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 | 265 | 2015 |
| All-electron scalar relativistic basis sets for the actinides DA Pantazis, F Neese Journal of chemical theory and computation 7 (3), 677-684, 2011 | 227 | 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 | 225 | 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 | 151 | 2016 |
| Ammonia binding to the oxygen-evolving complex of photosystem II identifies the solvent-exchangeable oxygen bridge (μ-oxo) of the manganese tetramer MP Navarro, WM Ames, H Nilsson, T Lohmiller, DA Pantazis, L Rapatskiy, ... Proceedings of the National Academy of Sciences 110 (39), 15561-15566, 2013 | 149 | 2013 |
| Experimental and theoretical investigations of new dinuclear palladium complexes as precatalysts for the amination of aryl chlorides U Christmann, DA Pantazis, J Benet-Buchholz, JE McGrady, F Maseras, ... Journal of the American Chemical Society 128 (19), 6376-6390, 2006 | 140 | 2006 |
| Structure of the oxygen-evolving complex of photosystem II: information on the S 2 state through quantum chemical calculation of its magnetic properties DA Pantazis, M Orio, T Petrenko, S Zein, W Lubitz, J Messinger, F Neese Physical Chemistry Chemical Physics 11 (31), 6788-6798, 2009 | 136 | 2009 |
| 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 | 130 | 2011 |
| A New Quantum Chemical Approach to the Magnetic Properties of Oligonuclear Transition‐Metal Complexes: Application to a Model for the Tetranuclear Manganese Cluster of … DA Pantazis, M Orio, T Petrenko, S Zein, E Bill, W Lubitz, J Messinger, ... Chemistry–A European Journal 15 (20), 5108-5123, 2009 | 126 | 2009 |
| All-electron scalar relativistic basis sets for the 6p elements DA Pantazis, F Neese Theoretical Chemistry Accounts 131 (11), 1-7, 2012 | 110 | 2012 |
| Missing pieces in the puzzle of biological water oxidation DA Pantazis ACS Catalysis 8 (10), 9477-9507, 2018 | 109 | 2018 |
Nicholas CoxAustralian National University/ Max Planck Institute for Chemical Energy ConversionBestätigte E-Mail-Adresse bei anu.edu.au
