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Published in 2025 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.5c01306
Abstract: Understanding the origin of chiroptical responses in symmetric cyclic π-conjugated systems is key to advancing their application in optoelectronic and spintronic technologies. Here, we document that such a response is intrinsically nonadiabatic and arises from…
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Keywords:
cyclic conjugated;
jahn teller;
conjugated systems;
teller couplings ... See more keywords