Relating stacking structures and charge transport in crystal polymorphs of the pyrrole-based π-conjugated molecule
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DOI: 10.1016/j.orgel.2017.06.028
Abstract: Abstract We present a theoretical study on charge transport in crystal polymorphs of the pyrrole-based π-conjugated molecule, the dipyrrolyldiketone difluoroboron complex. The ab initio all-electron fragment molecular orbital calculations were carried out to evaluate electronic… read more here.
Keywords: charge transport; crystal polymorphs; charge; transport crystal ... See more keywords