Publikationen
Zeitschriftenartikel (131)
2023
Zeitschriftenartikel
Pantazis, D. A.; Conformational energies of reference organic molecules: benchmarking of common efficient computational methods against coupled cluster theory. Journal of Computer-Aided Molecular Design 2023, 37, 607–656.
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Zeitschriftenartikel
Drosou, M.; ; ; Neese, F.; ; Pantazis, D. A.; 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.
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Zeitschriftenartikel
Sirohiwal, A.; Pantazis, D. A. Reaction Center Excitation in Photosystem II: From Multiscale Modeling to Functional Principles. Accounts of Chemical Research 2023, 56, 2921–2932.
Zeitschriftenartikel
Bhattacharjee, S.; Neese, F.; Pantazis, D. A. Triplet states in the reaction center of Photosystem II. Chemical Science 2023, 14, 9503–9516.
Zeitschriftenartikel
Drosou, M.; ; ; ; Pantazis, D. A.; ; Structure and Flexibility of Copper-Modified DNA G-Quadruplexes Investigated by 19F ENDOR Experiments at 34 GHz. Chemistry – A European Journal e202302527.
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Zeitschriftenartikel
Pantazis, D. A. Clues to how water splits during photosynthesis. Nature 2023, 617, 468–469.
Zeitschriftenartikel
Drosou, M.; ; Neese, F.; ; Pantazis, D. A. Does Serial Femtosecond Crystallography Depict State-Specific Catalytic Intermediates of the Oxygen-Evolving Complex? Journal of the American Chemical Society 2023, 145, 10604–10621.
Zeitschriftenartikel
Sirohiwal, A.; ; Pantazis, D. A.; Alternative Fast and Slow Primary Charge-Separation Pathways in Photosystem II. Angewandte Chemie International Edition 2023, 62, e202216276.
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Zeitschriftenartikel
Pantazis, D. A.; ; Synthesis and structural, magnetic and spectroscopic characterization of iron(III) complexes with in situ formed ligands from methyl-2-pyridyl ketone transformations. Dalton Transactions 2023, 52, 1582–1594.
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Zeitschriftenartikel
Pantazis, D. A.; ; ; Copper Complexes with Diazoolefin Ligands and their Photochemical Conversion into Alkenylidene Complexes. Angewandte Chemie International Edition 2023, 62, e202214899.
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Zeitschriftenartikel
Pantazis, D. A.; Water oxidation in oxygenic photosynthesis studied by magnetic resonance techniques. FEBS Letters 2023, 597, 6–29.
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Zeitschriftenartikel
Drosou, M.; Pantazis, D. A.; Selective incorporation of 5-hydroxytryptophan blocks long range electron transfer in oxalate decarboxylase. Protein Science 2023, 32, e4537.
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Zeitschriftenartikel
Sirohiwal, A.; Pantazis, D. A. Functional Water Networks in Fully Hydrated Photosystem II. Journal of the American Chemical Society 2022, 144, 22035–22050.
Zeitschriftenartikel
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 2022, 144, 14489–14504.
Zeitschriftenartikel
Pantazis, D. A. Reconciling Local Coupled Cluster with Multireference Approaches for Transition Metal Spin-State Energetics. Journal of Chemical Theory and Computation 2022, 18, 3538–3548.
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Zeitschriftenartikel
Pantazis, D. A.; Decoding the Ambiguous Electron Paramagnetic Resonance Signals in the Lytic Polysaccharide Monooxygenase from Photorhabdus luminescens. Inorganic Chemistry 2022, 61, 8022–8035.
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Zeitschriftenartikel
Pantazis, D. A.; ; Crystalline Germanium(I) and Tin(I) Centered Radical Anions. Angewandte Chemie International Edition 2022, 61, e202201248.
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Zeitschriftenartikel
Sirohiwal, A.; Pantazis, D. A. The Electronic Origin of Far-Red-Light-Driven Oxygenic Photosynthesis. Angewandte Chemie International Edition 2022, 61, e202200356.
Zeitschriftenartikel
Pantazis, D. A. EPR Spectroscopy of Cu(II) Complexes: Prediction of g-Tensors Using Double-Hybrid Density Functional Theory. Magnetochemistry 2022, 8, 36.
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Zeitschriftenartikel
Bhattacharjee, S.; ; 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 2022, 18, 1619–1632.