Time-Dependent Formulation of Resonance Raman Optical Activity Spectroscopy.
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DOI: 10.1021/acs.jctc.8b00488
Abstract: In this work, we extend the theoretical framework recently developed for the simulation of resonance Raman (RR) spectra of medium-to-large sized systems to its chiral counterpart, namely, resonance Raman optical activity (RROA). The theory is… read more here.
Keywords: dependent formulation; time dependent; spectroscopy; optical activity ... See more keywords