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Maria Drosou
Maria Drosou
Η διεύθυνση ηλεκτρονικού ταχυδρομείου έχει επαληθευτεί στον τομέα kofo.mpg.de
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Recent advances in the mechanisms of the hydrogen evolution reaction by non-innocent sulfur-coordinating metal complexes
M Drosou, F Kamatsos, CA Mitsopoulou
Inorganic Chemistry Frontiers 7 (1), 37-71, 2020
852020
Reconciling Local Coupled Cluster with Multireference Approaches for Transition Metal Spin-State Energetics
M Drosou, CA Mitsopoulou, DA Pantazis
Journal of Chemical Theory and Computation 18 (6), 3538-3548, 2022
392022
Orientational Jahn–Teller Isomerism in the Dark‐Stable State of Nature's Water Oxidase
M Drosou, G Zahariou, DA Pantazis
Angewandte Chemie 133 (24), 13605-13611, 2021
342021
Spin-state energetics of manganese spin crossover complexes: Comparison of single-reference and multi-reference ab initio approaches
M Drosou, CA Mitsopoulou, DA Pantazis
Polyhedron 208, 115399, 2021
242021
Redox Isomerism in the S3 State of the Oxygen‐Evolving Complex Resolved by Coupled Cluster Theory
M Drosou, DA Pantazis
Chemistry–A European Journal 27 (50), 12815-12825, 2021
212021
EPR Spectroscopy of Cu(II) Complexes: Prediction of g-Tensors Using Double-Hybrid Density Functional Theory
M Drosou, CA Mitsopoulou, M Orio, DA Pantazis
Magnetochemistry 8 (4), 36, 2022
172022
Heteroleptic thiolate diamine nickel complexes: Noble-free-metal catalysts in electrocatalytic and light-driven hydrogen evolution reaction
F Kamatsos, M Drosou, CA Mitsopoulou
International Journal of Hydrogen Energy 46 (37), 19705-19716, 2021
162021
Reactivity and Mechanism of Photo-and Electrocatalytic Hydrogen Evolution by a Diimine Copper (I) Complex
M Drosou, F Kamatsos, G Ioannidis, A Zarkadoulas, CA Mitsopoulou, ...
Catalysts 10 (11), 1302, 2020
152020
Nature of S-States in the Oxygen-Evolving Complex Resolved by High-Energy Resolution Fluorescence Detected X-ray Absorption Spectroscopy
M Chrysina, M Drosou, RG Castillo, M Reus, F Neese, V Krewald, ...
Journal of the American Chemical Society 145 (47), 25579-25594, 2023
122023
Does Serial Femtosecond Crystallography Depict State-Specific Catalytic Intermediates of the Oxygen-Evolving Complex?
M Drosou, G Comas-Vilà, F Neese, P Salvador, DA Pantazis
Journal of the American Chemical Society 145 (19), 10604-10621, 2023
122023
Decoding the Ambiguous Electron Paramagnetic Resonance Signals in the Lytic Polysaccharide Monooxygenase from Photorhabdus luminescens
RJ Gómez-Piñeiro, M Drosou, S Bertaina, C Decroos, AJ Simaan, ...
Inorganic Chemistry 61 (20), 8022-8035, 2022
92022
Structural modifications on nickel dithiolene complexes lead to increased metal participation in the electrocatalytic hydrogen evolution mechanism
M Drosou, A Zarkadoulas, K Bethanis, CA Mitsopoulou
Journal of Coordination Chemistry 74 (9-10), 1425-1442, 2021
72021
Structure and Flexibility of Copper‐Modified DNA G‐Quadruplexes Investigated by 19F ENDOR Experiments at 34 GHz**
SL Schumann, S Kotnig, Y Kutin, M Drosou, LM Stratmann, Y Streltsova, ...
Chemistry–A European Journal 29 (68), e202302527, 2023
42023
Comprehensive Evaluation of Models for Ammonia Binding to the Oxygen Evolving Complex of Photosystem II
M Drosou, DA Pantazis
The Journal of Physical Chemistry B, 2024
32024
Selective incorporation of 5‐hydroxytryptophan blocks long range electron transfer in oxalate decarboxylase
AJ Pastore, A Montoya, M Kamat, KB Basso, JS Italia, A Chatterjee, ...
Protein Science 32 (1), e4537, 2023
32023
EPR Spectroscopy of Cu (II) Complexes: Prediction of g-Tensors Using Double-Hybrid Density Functional Theory. Magnetochemistry 2022, 8, 36
M Drosou, CA Mitsopoulou, M Orio, DA Pantazis
s Note: MDPI stays neutral with regard to jurisdictional claims in published …, 2022
12022
Combined Multireference–Multiscale Approach to the Description of Photosynthetic Reaction Centers
M Drosou, S Bhattacharjee, DA Pantazis
Journal of Chemical Theory and Computation 20 (16), 7210-7226, 2024
2024
Evaluation of competing models for the high-spin forms of the S2 state of the oxygen-evolving complex
MA Mermigki, M Drosou, F Neese, DA Pantazis
Warsaw, Poland, 75, 2023
2023
Insights into the Mechanism of NiFe-Hydrogenase Using Correlated Wavefunction Methods
M Drosou, DA Pantazis
Warsaw, Poland, 40, 2023
2023
Unraveling the catalytic mechanism of proton reduction by a copper (I) diimine catalyst
M Drosou, F Kamatsos, G Ioannidis, A Zarkadoulas, CA Mitsopoulou, ...
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