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Real-Time CASSCF (Ehrenfest) Modeling of Electron Dynamics in Organic Semiconductors. Dynamics Reaction Paths Driven by Quantum Coherences. Application to a Radical Organic Semiconductor (2024)

First Author: Deumal M

Attributed to: Controlling photophysics and photochemistry via quantum superpositions of electronic states: towards attochemistry funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1021/acs.jpca.4c06466

PubMed Identifier: 39601303

Publication URI: http://europepmc.org/abstract/MED/39601303

Type: Journal Article/Review

Parent Publication: The Journal of Physical Chemistry A

Issue: 49

ISSN: 1089-5639