2024
DOI: 10.1039/d4cp02876g
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Introducing the new concept of a chiral-polaron giant-IRAV signature, optical-active giant-response in vibrational circular dichroism

Fabio Biffoli,
Marco Bonechi,
Marco Pagliai
et al.

Abstract: This work proposes the novel concept of a VCD giant response due to the presence of a chiral polaron by exploiting different DFT functional classes.

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