Publications of Dimitrios A. Pantazis

Šrut, A.; Bhattacharjee, S.; Pantazis, D. A.; Krewald, V.: Analyzing spectral distributions of charge transfer character in ensembles: a case study on the reaction center of photosystem II. Physical Chemistry Chemical Physics 27 (16), pp. 8327 - 8334 (2025)

Chrysina, M.; Drosou, M.; Pantazis, D. A.; DeBeer, S.: Ammonia Binding to the Oxygen-Evolving Complex Probed by High-Energy Resolution Fluorescence Detected X-Ray Absorption Spectroscopy. The Journal of Physical Chemistry B 129 (15), pp. 3776 - 3787 (2025)

O'Reilly, A.; Booth, A. M. S.; Smith, G. W. A.; Evans, M. J.; Lim, L. F.; Pantazis, D. A.; Cox, N.; McMullin, C. L.; Fulton, J. R.; Coles, M. P.: Reaction of a Potassium Aluminyl with Sn[N(SiMe₃)₂]₂ - Isolation of a Stable, Trimetallic Sn(I) Radical Anion. Chemistry – A European Journal 31 (20), e202500358 (2025)

Heghmanns, M.; Yadav, S.; Boschmann, S.; Selve, V. R.; Veliju, A.; Brocks, C.; Happe, T.; Pantazis, D. A.; Kasanmascheff, M.: Distinct Valence States of the [4Fe4S] Cluster Revealed in the Hydrogenase CrHydA1. Angewandte Chemie International Edition 64 (14), e202424167 (2025)

Mermigki, M. A.; Drosou, M.; Pantazis, D. A.: On the nature of high-spin forms in the S₂ state of the oxygen-evolving complex. Chemical Science 16 (9), pp. 4023 - 4047 (2025)

Santra, G.; Pantazis, D. A.: Conformational Profile of Galactose-α-1,3-Galactose (α-Gal) and Structural Basis of Its Immunological Response. Chemistry – A European Journal, e202500050 (2025)

Kutin, Y.; Koike, T.; Drosou, M.; Schnegg, A.; Pantazis, D. A.; Kasanmascheff, M.; Hansmann, M. M.: Ph₃PC – A Monosubstituted C(0) Atom in Its Triplet State. Angewandte Chemie International Edition 64 (10), e202424166 (2025)

Mrozowicz, M.; Chatterjee, S.; Mermigki, M. A.; Pantazis, D. A.; Ritter, T.: Meta-Dimethylation of Arenes via Catellani Reaction from Aryl Thianthrenium Salts. Angewandte Chemie International Edition 64 (5), e202419472 (2025)

Yang, J.; Ansari, M.; Pantazis, D. A.; Zheng, C. H. M.; McDonald, R.; Ferguson, M. J.; Rosenberg, L.: Co-Catalyzed P–H Activation and Related Cp*Co(III) Phosphine Complexes. Inorganic Chemistry 63 (47), pp. 22409 - 22421 (2024)

Santra, G.; Neese, F.; Pantazis, D. A.: Extensive reference set and refined computational protocol for calculations of ⁵⁷Fe Mössbauer parameters. Physical Chemistry Chemical Physics 26 (35), pp. 23322 - 23334 (2024)

Drosou, M.; Bhattacharjee, S.; Pantazis, D. A.: Combined Multireference–Multiscale Approach to the Description of Photosynthetic Reaction Centers. Journal of Chemical Theory and Computation 20 (16), pp. 7210 - 7226 (2024)

Guo, Y.; He, L.; Ding, Y.; Kloo, L.; Pantazis, D. A.; Messinger, J.; Sun, L.: Closing Kok’s cycle of nature’s water oxidation catalysis. Nature Communications 15, 5982 (2024)

Zanetti-Polzi, L.; Pantazis, D. A.; Daidone, I.: Intermolecular Photoinduced Electron Transfer in Biosystems: Impact of Conformational Transitions and Multiple Channels on Kinetics. ChemPhotoChem 8 (7), e202300307 (2024)

Bhattacharjee, S.; Arra, S.; Daidone, I.; Pantazis, D. A.: Excitation landscape of the CP43 photosynthetic antenna complex from multiscale simulations. Chemical Science 15 (19), pp. 7269 - 7284 (2024)

Pesara, P.; Szafran, K.; Nguyen, H. C.; Sirohiwal, A.; Pantazis, D. A.; Gabruk, M.: Elucidating substrate binding in the light-dependent protochlorophyllide oxidoreductase. Chemical Science 15 (20), pp. 7767 - 7780 (2024)

Ansari, M.; Bhattacharjee, S.; Pantazis, D. A.: Correlating Structure with Spectroscopy in Ascorbate Peroxidase Compound II. Journal of the American Chemical Society 146 (14), pp. 9640 - 9656 (2024)

Belli, R. G.; Muir, V.; Dyck, N. B.; Pantazis, D. A.; Sousa, T. P. A.; Slusar, C. R.; Parkin, H. C.; Rosenberg, L.: Exploring Electrophilic Hydrophosphination via Metal Phosphenium Intermediates. Chemistry – A European Journal 30 (16), e202302924 (2024)

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 29 (68), e202302527 (2023)

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 (12), pp. 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 145 (47), pp. 25579 - 25594 (2023)