Theoretical study of charge-transport and optical properties of organic crystals: 4,5,9,10-pyrenedi­imides

Huang, J.-D.; Yu, K.; Huang, X.; Chen, D.; Wen, J.; Cheng, S.; Ma, H.

doi:10.1107/S2052252519004706

Figure 3
HOMOs (0.02 a.u.) for the P dimer of C₆-PyDI in (a) side view and in (b) top view, and LUMOs (0.02 a.u.) for the P dimer of C₆-PyDI in (c) side view and in (d) top view.

IUCrJ

Volume 6| Part 4| July 2019| Pages 603-609

ISSN: 2052-2525

https://doi.org/10.1107/S2052252519004706

MATERIALS | COMPUTATION

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