Assessing the Structure of Octastate Molecular Switches Using 1H NMR Density Functional Theory Calculations
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DOI: 10.1021/acs.jpcc.7b11221
Abstract: Density functional theory calculations are used to reveal the relationships between the structures, energies, and NMR signatures of an octastate molecular switch composed of a dithienylethene (DTE) unit covalently linked to an indolino[2,1-b]oxazolidine (BOX) moiety… read more here.
Keywords: functional theory; density functional; octastate molecular; theory calculations ... See more keywords