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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... Click to show full 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...
Keywords:
polar conjugated;
alignment polar;
control alignment;
kinetic control;
molecules inside;
conjugated molecules
Journal Title: Journal of Physical Chemistry C
Year Published: 2018
Link to full text (if available)
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Journal Title: Journal of Physical Chemistry C
Year Published: 2018
Link to full text (if available)
Share on Social Media: Sign Up to like & get
recommendations!