Beyond the Rosenfeld Equation: Computation of Vibrational Circular Dichroism Spectra for Anisotropic Solutions.
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DOI: 10.1021/acs.jctc.8b01156
Abstract: The difference in absorption of left and right circularly polarized light by chiral molecules can be described by the Rosenfeld equation for isotropic samples. It allows the assignment of the absolute stereochemistry by comparing experimental… read more here.
Keywords: computation; circular dichroism; rosenfeld equation; vibrational circular ... See more keywords