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
Mapping proton-coupled electron transfer with real space dimensions
Adam Šrut, Martin Diefenbach, Marvin L. Kronenberger, Benjamin J. Lear, Vera Krewald
Chemrxiv
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
Angew. Chem. Int. Ed.
2024
63
e202404727.
Vibrational Coherences of the Photoinduced Mixed-Valent Creutz–Taube Ion Revealed by Excited State Dynamics
Adam Šrut, Vera Krewald
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.