Researcher Portfolio
Molnár,András
MCQST - Munich Center for Quantum Science and Technology, External Organizations, Theory, Max Planck Institute of Quantum Optics, Max Planck Society
Researcher Profile
Position: Theory, Max Planck Institute of Quantum Optics, Max Planck Society
Position: MCQST - Munich Center for Quantum Science and Technology, External Organizations
Researcher ID: https://pure.mpg.de/cone/persons/resource/persons194912
Publications
(1 - 25 of 165)
: Šrut, A., Bhattacharjee, S., Pantazis, D. A., & Krewald, V. (2025). 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), 8327-8334. doi:10.1039/D5CP00317B. [PubMan] : Chrysina, M., Drosou, M., Pantazis, D. A., & DeBeer, S. (2025). 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), 3776-3787. doi:10.1021/acs.jpcb.5c00269. [PubMan] : 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. (2025). 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. doi:10.1002/chem.202500358. [PubMan] : Heghmanns, M., Yadav, S., Boschmann, S., Selve, V. R., Veliju, A., Brocks, C., Happe, T., Pantazis, D. A., & Kasanmascheff, M. (2025). Distinct Valence States of the [4Fe4S] Cluster Revealed in the Hydrogenase CrHydA1. Angewandte Chemie International Edition, 64(14): e202424167. doi:10.1002/anie.202424167. [PubMan] : Mermigki, M. A., Drosou, M., & Pantazis, D. A. (2025). On the nature of high-spin forms in the S2 state of the oxygen-evolving complex. Chemical Science, 16(9), 4023-4047. doi:10.1039/D4SC07818G. [PubMan] : Santra, G., & Pantazis, D. A. (2025). Conformational Profile of Galactose-α-1,3-Galactose (α-Gal) and Structural Basis of Its Immunological Response. Chemistry – A European Journal, e202500050. doi:10.1002/chem.202500050. [PubMan] : Kutin, Y., Koike, T., Drosou, M., Schnegg, A., Pantazis, D. A., Kasanmascheff, M., & Hansmann, M. M. (2025). Ph3PC – A Monosubstituted C(0) Atom in Its Triplet State. Angewandte Chemie International Edition, 64(10): e202424166. doi:10.1002/anie.202424166. [PubMan] : Mrozowicz, M., Chatterjee, S., Mermigki, M. A., Pantazis, D. A., & Ritter, T. (2025). Meta-Dimethylation of Arenes via Catellani Reaction from Aryl Thianthrenium Salts. Angewandte Chemie International Edition, 64(5): e202419472. doi:10.1002/anie.202419472. [PubMan] : Yang, J., Ansari, M., Pantazis, D. A., Zheng, C. H. M., McDonald, R., Ferguson, M. J., & Rosenberg, L. (2024). Co-Catalyzed P–H Activation and Related Cp*Co(III) Phosphine Complexes. Inorganic Chemistry, 63(47), 22409-22421. doi:10.1021/acs.inorgchem.4c03207. [PubMan] : Santra, G., Neese, F., & Pantazis, D. A. (2024). Extensive reference set and refined computational protocol for calculations of 57Fe Mössbauer parameters. Physical Chemistry Chemical Physics, 26(35), 23322-23334. doi:10.1039/D4CP00431K. [PubMan] : Drosou, M., Bhattacharjee, S., & Pantazis, D. A. (2024). Combined Multireference–Multiscale Approach to the Description of Photosynthetic Reaction Centers. Journal of Chemical Theory and Computation, 20(16), 7210-7226. doi:10.1021/acs.jctc.4c00578. [PubMan] : Guo, Y., He, L., Ding, Y., Kloo, L., Pantazis, D. A., Messinger, J., & Sun, L. (2024). Closing Kok’s cycle of nature’s water oxidation catalysis. Nature Communications, 15: 5982. doi:10.1038/s41467-024-50210-6. [PubMan] : Zanetti-Polzi, L., Pantazis, D. A., & Daidone, I. (2024). Intermolecular Photoinduced Electron Transfer in Biosystems: Impact of Conformational Transitions and Multiple Channels on Kinetics. ChemPhotoChem, 8(7): e202300307. doi:10.1002/cptc.202300307. [PubMan] : Pesara, P., Szafran, K., Nguyen, H. C., Sirohiwal, A., Pantazis, D. A., & Gabruk, M. (2024). Elucidating substrate binding in the light-dependent protochlorophyllide oxidoreductase. Chemical Science, 15(20), 7767-7780. doi:10.1039/D4SC00923A. [PubMan] : Bhattacharjee, S., Arra, S., Daidone, I., & Pantazis, D. A. (2024). Excitation landscape of the CP43 photosynthetic antenna complex from multiscale simulations. Chemical Science, 15(19), 7269-7284. doi:10.1039/D3SC06714A. [PubMan] : Ansari, M., Bhattacharjee, S., & Pantazis, D. A. (2024). Correlating Structure with Spectroscopy in Ascorbate Peroxidase Compound II. Journal of the American Chemical Society, 146(14), 9640-9656. doi:10.1021/jacs.3c13169. [PubMan] : Belli, R. G., Muir, V., Dyck, N. B., Pantazis, D. A., Sousa, T. P. A., Slusar, C. R., Parkin, H. C., & Rosenberg, L. (2024). Exploring Electrophilic Hydrophosphination via Metal Phosphenium Intermediates. Chemistry – A European Journal, 30(16): e202302924. doi:10.1002/chem.202302924. [PubMan] : Schumann, S. L., Kotnig, S., Kutin, Y., Drosou, M., Stratmann, L. M., Streltsova, Y., Schnegg, A., Pantazis, D. A., Clever, G. H., & Kasanmascheff, M. (2023). Structure and Flexibility of Copper-Modified DNA G-Quadruplexes Investigated by 19F ENDOR Experiments at 34 GHz. Chemistry – A European Journal, 29(68): e202302527. doi:10.1002/chem.202302527. [PubMan] : Stylianakis, I., Zervos, N., Lii, J.-H., Pantazis, D. A., & Kolocouris, A. (2023). Conformational energies of reference organic molecules: benchmarking of common efficient computational methods against coupled cluster theory. Journal of Computer-Aided Molecular Design, 37(12), 607-656. doi:10.1007/s10822-023-00513-5. [PubMan] : Chrysina, M., Drosou, M., Castillo, R. G., Reus, M., Neese, F., Krewald, V., Pantazis, D. A., & DeBeer, S. (2023). 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), 25579-25594. doi:10.1021/jacs.3c06046. [PubMan] : Sirohiwal, A., & Pantazis, D. A. (2023). Reaction Center Excitation in Photosystem II: From Multiscale Modeling to Functional Principles. Accounts of Chemical Research, 56(21), 2921-2932. doi:10.1021/acs.accounts.3c00392. [PubMan] : 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., 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. (2023). Reactive high-spin iron(IV)-oxo sites through dioxygen activation in a metal–organic framework. Science, 382(6670), 547-553. doi:10.1126/science.add7417. [PubMan] : Bhattacharjee, S., Neese, F., & Pantazis, D. A. (2023). Triplet states in the reaction center of Photosystem II. Chemical Science, 14(35), 9503-9516. doi:10.1039/D3SC02985A. [PubMan] : Pantazis, D. A. (2023). Clues to how water splits during photosynthesis. Nature, 617, 468-469. doi:10.1038/d41586-023-01388-0. [PubMan] : Drosou, M., Comas-Vilà, G., Neese, F., Salvador, P., & Pantazis, D. A. (2023). Does Serial Femtosecond Crystallography Depict State-Specific Catalytic Intermediates of the Oxygen-Evolving Complex? Journal of the American Chemical Society, 145(19), 10604-10621. doi:10.1021/jacs.3c00489. [PubMan]