Stacked homodimers of substituted contorted hexabenzocoronenes and their complexes with C60 fullerene

Stacking interactions involving substituted contorted hexabenzocoronene (c-HBC) with C60 were studied at the B97-D3M(BJ)/TZVPP//B97-D/TZV(2d,2p) level of theory. First, we showed that substituent effects in benzeneC60 complexes are uncorrelated with those in the benzene sandwich dimer, underscoring...

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Veröffentlicht in:	Organic & biomolecular chemistry 2017-07, Vol.15 (28), p.6042-6049
Hauptverfasser:	Sepúlveda, Diana, Guan, Yanfei, Rangel, Ulises, Wheeler, Steven E
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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