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Published in 2018 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.8b05455
Abstract: Dispersion-corrected density functional theory (DFT) calculations analyze potential energy surfaces (PESs) for the insertion of a certain polarized π-conjugated molecule, p-(dimethylamino)-p′-nitro...
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Keywords:
polar conjugated;
alignment polar;
control alignment;
kinetic control ... See more keywords