Mapping Proton-Coupled Electron Transfer With Real Space Coordinates
Adam Šrut, Martin Diefenbach, Marvin L. Kronenberger, Benjamin J. Lear, Vera Krewald
Angew. Chem. Int. Ed.
2026
e5050035.
Charge Separation Kinetics Uncovered by Tensor Decomposition of Two-Dimensional Electronic Spectra
Adam Šrut, Thorsten Hansen
ChemRxiv
Electron Transfer Occurs With Multiple Rates in Strongly Coupled Systems: An Atomistic Simulation of the Creutz–Taube Ion in Solution
Adam Šrut, Vera Krewald
Chemrxiv
Analyzing Spectral Distributions of Charge Transfer Character in Ensembles: A Case Study on the Reaction Center of Photosystem II
Adam Šrut, Sinjini Bhattacharjee, Dimitrios A. Pantazis, Vera Krewald
Phys. Chem. Chem. Phys.
2025
27
8327–8334.
Symmetric Electron Transfer Coordinates are Intrinsic to Bridged Systems: An ab Initio Treatment of the Creutz–Taube Ion
Adam Šrut, Benjamin J. Lear, Vera Krewald
2024
63
e202404727.
Vibrational Coherences of the Photoinduced Mixed-Valent Creutz–Taube Ion Revealed by Excited State Dynamics
J. Phys. Chem. A
2023
127
9911-9920.
The Marcus dimension: identifying the nuclear coordinate for electron transfer from ab initio calculations
Chem. Sci.
14
9213–9225.
Nonadiabatic excited-state dynamics of ReCl(CO)3(bpy) in two different solvents
Adam Šrut, Sebastian Mai, Igor V. Sazanovich, Jan Heyda, Antonín Vlček, Leticia González, Stanislav Záliš
2022
24
25864-25877.