Publications of Dimitrios A. Pantazis

Sirohiwal, A.; Pantazis, D. A.: Reaction Center Excitation in Photosystem II: From Multiscale Modeling to Functional Principles. Accounts of Chemical Research 56 (21), pp. 2921 - 2932 (2023)

Hou, K.; Börgel, J.; Jiang, H. Z. H.; SantaLucia, D. J.; Kwon, H.; Zhuang, H.; Chakrawet, K.; Rohde, R. C.; Taylor, J. W.; Dun, C. et al.; Paley, M. V.; Turkiewicz, A. B.; Park, J. G.; Mao, H.; Zhu, Z.; Alp, E. E.; Zhao, J.; Hu, M. Y.; Lavina, B.; Peredkov, S.; Lv, X.; Oktawiec, J.; Meihaus, K. R.; Pantazis, D. A.; Vandone, M.; Colombo, V.; Bill, E.; Urban, J. J.; Britt, R. D.; Grandjean, F.; Long, G. J.; DeBeer, S.; Neese, F.; Reimer, J. A.; Long, J. R.: Reactive high-spin iron(IV)-oxo sites through dioxygen activation in a metal–organic framework. Science 382 (6670), pp. 547 - 553 (2023)

Bhattacharjee, S.; Neese, F.; Pantazis, D. A.: Triplet states in the reaction center of Photosystem II. Chemical Science 14 (35), pp. 9503 - 9516 (2023)

Pantazis, D. A.: Clues to how water splits during photosynthesis. Nature 617, pp. 468 - 469 (2023)

Drosou, M.; Comas-Vilà, G.; Neese, F.; Salvador, P.; Pantazis, D. A.: Does Serial Femtosecond Crystallography Depict State-Specific Catalytic Intermediates of the Oxygen-Evolving Complex? Journal of the American Chemical Society 145 (19), pp. 10604 - 10621 (2023)

Capone, M.; Sirohiwal, A.; Aschi, M.; Pantazis, D. A.; Daidone, I.: Alternative Fast and Slow Primary Charge-Separation Pathways in Photosystem II. Angewandte Chemie International Edition 62 (16), e202216276 (2023)

Tzani, S.; Pissas, M.; Psycharis, V.; Pantazis, D. A.; Sanakis, Y.; Raptopoulou, C. P.: Synthesis and structural, magnetic and spectroscopic characterization of iron(III) complexes with in situ formed ligands from methyl-2-pyridyl ketone transformations. Dalton Transactions 52 (6), pp. 1582 - 1594 (2023)

Kooji, B.; Varava, P.; Fadaei-Tirani, F.; Scopelliti, R.; Pantazis, D. A.; Van Trieste III, G. P.; Powers, D. C.; Severin, K.: Copper Complexes with Diazoolefin Ligands and their Photochemical Conversion into Alkenylidene Complexes. Angewandte Chemie International Edition 62 (4), e202214899 (2023)

Lubitz, W.; Pantazis, D. A.; Cox, N.: Water oxidation in oxygenic photosynthesis studied by magnetic resonance techniques. FEBS Letters 597 (1), pp. 6 - 29 (2023)

Pastore, A. J.; Montoya, A.; Kamat, M.; Basso, K. B.; Italia, J. S.; Chatterjee, A.; Drosou, M.; Pantazis, D. A.; Angerhofer, A.: Selective incorporation of 5-hydroxytryptophan blocks long range electron transfer in oxalate decarboxylase. Protein Science 32 (1), e4537 (2023)

Sirohiwal, A.; Pantazis, D. A.: Functional Water Networks in Fully Hydrated Photosystem II. Journal of the American Chemical Society 144 (48), pp. 22035 - 22050 (2022)

Planas, O.; Peciukenas, V.; Leutzsch, M.; Nöthling, N.; Pantazis, D. A.; Cornella, J.: Mechanism of the Aryl–F Bond-Forming Step from Bi(V) Fluorides. Journal of the American Chemical Society 144 (32), pp. 14489 - 14504 (2022)

Drosou, M.; Mitsopoulou, C. A.; Pantazis, D. A.: Reconciling Local Coupled Cluster with Multireference Approaches for Transition Metal Spin-State Energetics. Journal of Chemical Theory and Computation 18 (6), pp. 3538 - 3548 (2022)

Gómez-Piñeiro, R. J.; Drosou, M.; Bertaina, S.; Decroos, C.; Simaan, A. J.; Pantazis, D. A.; Orio, M.: Decoding the Ambiguous Electron Paramagnetic Resonance Signals in the Lytic Polysaccharide Monooxygenase from Photorhabdus luminescens. Inorganic Chemistry 61 (20), pp. 8022 - 8035 (2022)

Lim, L. F.; Judd, M.; Vasko, P.; Gardiner, M. G.; Pantazis, D. A.; Cox, N.; Hicks, J.: Crystalline Germanium(I) and Tin(I) Centered Radical Anions. Angewandte Chemie International Edition 61 (21), e202201248 (2022)

Sirohiwal, A.; Pantazis, D. A.: The Electronic Origin of Far-Red-Light-Driven Oxygenic Photosynthesis. Angewandte Chemie International Edition 61 (16), e202200356 (2022)

Drosou, M.; Mitsopoulou, C. A.; Orio, M.; Pantazis, D. A.: EPR Spectroscopy of Cu(II) Complexes: Prediction of g-Tensors Using Double-Hybrid Density Functional Theory. Magnetochemistry 8 (4), 36 (2022)

Bhattacharjee, S.; Isegawa, M.; Garcia-Ratés, M.; Neese, F.; Pantazis, D. A.: Ionization Energies and Redox Potentials of Hydrated Transition Metal Ions: Evaluation of Domain-Based Local Pair Natural Orbital Coupled Cluster Approaches. Journal of Chemical Theory and Computation 18 (3), pp. 1619 - 1632 (2022)

Kutin, Y.; Reitz, J.; Antoni, P. W.; Savitsky, A.; Pantazis, D. A.; Kasanmascheff, M.; Hansmann, M. M.: Characterization of a Triplet Vinylidene. Journal of the American Chemical Society 143 (50), pp. 21410 - 21415 (2021)

Sirohiwal, A.; Pantazis, D. A.: Electrostatic profiling of photosynthetic pigments: implications for directed spectral tuning. Physical Chemistry Chemical Physics 23 (43), pp. 24677 - 24684 (2021)