Evaluation of Molecular Polarizability and of Intensity Carrying Modes Contributions in Circular Dichroism Spectroscopies

Evaluation of Molecular Polarizability and of Intensity Carrying Modes Contributions in Circular Dichroism Spectroscopies

We re-examine the theory of electronic and vibrational circular dichroism spectroscopy in terms of the formalism of frequency-dependent molecular polarizabilities. We show the link between Fermi’s gold rule in circular dichroism and the trace of the complex electric dipole−magnet...

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Bibliographic Details
Main Authors:	Chiara Zanchi, Giovanna Longhi, Sergio Abbate, Giovanni Pellegrini, Paolo Biagioni, Matteo Tommasini
Format:	Article
Language:	English
Published:	MDPI AG 2019-11-01
Series:	Applied Sciences
Subjects:	computational molecular spectroscopy density functional theory vcd intensity dissymmetry factor <i>g</i>(<i>ω</i>) intensity carrying modes (icm)
Online Access:	https://www.mdpi.com/2076-3417/9/21/4691

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