Calculating Natural Optical Activity of Molecules from First Principles.
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DOI: 10.1146/annurev-physchem-052516-044827
Abstract: Computations of natural optical activity (OA) from first principles (ab initio) have become indispensable in chiroptical studies of molecular systems. Calculations are used to assign absolute configurations and to analyze chiroptical data, providing a basis… read more here.
Keywords: natural optical; activity molecules; optical activity; calculating natural ... See more keywords