Supporting Information
figure
posted on 2025-06-13, 12:05 authored by Davide Accomasso, Dominika MakośSupplementary information about the QD-NEVPT2 quantum chemical calculations, the comparison of exchange-correlation functionals, the comparison of push-pull and unsubstituted motors, and the semiempirical method for the dynamics simulations. Additional information about the preparation of the QM/MM system, the thermal equilibrations, the fitting functions, the calculation of time-resolved emission, and the hydrogen bond analysis. Supplementary tables and figures.
History
Related Materials
- 1. DOI - Is supplement to Impact of Solvent Polarity on the Photoinduced Dynamics of a Push-Pull Molecular Motor
