Publikationen von Dimitrios A. Pantazis

Stylianakis, I.; Zervos, N.; Lii, J.-H.; Pantazis, D. A.; Kolocouris, A.: Conformational energies of reference organic molecules: benchmarking of common efficient computational methods against coupled cluster theory. Journal of Computer-Aided Molecular Design 37, S. 607 - 656 (2023)

Chrysina, M.; Drosou, M.; Castillo, R. G.; Reus, M.; Neese, F.; Krewald, V.; Pantazis, D. A.; DeBeer, S.: Nature of S-States in the Oxygen-Evolving Complex Resolved by High-Energy Resolution Fluorescence Detected X-ray Absorption Spectroscopy. Journal of the American Chemical Society (2023)

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

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

Schumann, S. L.; Kotnig, S.; Kutin, Y.; Drosou, M.; Stratmann, L. M.; Streltsova, Y.; Schnegg, A.; Pantazis, D. A.; Clever, G. H.; Kasanmascheff, M.: Structure and Flexibility of Copper-Modified DNA G-Quadruplexes Investigated by ¹⁹F ENDOR Experiments at 34 GHz. Chemistry – A European Journal (angenommen)

Pantazis, D. A.: Clues to how water splits during photosynthesis. Nature 617, S. 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), S. 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), S. 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), S. 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), S. 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), S. 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), S. 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), S. 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), S. 1619 - 1632 (2022)