Intermolecular Packing Effects on Singlet Fission in Oligorylene Dimers

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Using the density functional theory method, the crystalline packing effect on the singlet fission (SF) rate of oligorylenes, some of which are found to exhibit SF in crystal forms, is revealed by evaluating the effective electronic coupling (|

Journal

  • ACS Omega

    ACS Omega 2 (8), 5095-5103, 2017-08-29

    American Chemical Society (ACS)

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