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Author

R. Crespo-Otero

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Open access Sep 2026

Exploring the photophysics of dibenzo[g,p]chrysene and tetraphenylethene in solution by static and dynamical quantum mechanical calculations

Multichromophore assemblies (MCAs) of π-conjugated molecules exhibit complex photophysical behavior arising from the interplay between intra- and intermolecular interactions and environmental effects. In this work, we present a comprehensive computational study of two representative systems, dibenzo[g,p]chrysene (DBC)...

Mohammad Aarabi, Michael Ingham, Samuele Giannini et al. · 0 citations
Open access Oct 2026

Benchmarking electronic-structure methods for nonadiabatic dynamics in a propeller-shaped molecular rotor: insights into conical intersections

Understanding light-activated processes in molecular rotors is essential for applications ranging from energy storage to light-emitting materials. Rotation around single bonds provides an efficient nonradiative decay pathway, leading many molecular rotors to undergo quenching across environments. Nonadiabatic dynamics...

M. Brady, R. Crespo-Otero · 0 citations

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