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A theoretical Study on Electronic Properties of Two Ring-Fused Derivatives of 9, 10-Diphenylanthracene

Abstract: Two new contorted polycyclic aromatic hydrocarbons (PAHs) 1 and 2 have been synthesized by Perepichkaet and coworkers (Org. Lett., 2015, 17, 4224). In this work, we aiming to clarify packings of the isomers effect on the charge-transfer mobility of PAHs by quantum chemistry calculations combined wi

Authors:   Yating Shi; Yarui Shi; Hui-Ling WEI; Hongsheng Zhai; Yufang Liu
Journal:   New Journal of Chemistry
DOI:   10.1039/C7NJ02590D
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  • quantum chemistry
  • polycyclic aromatic…
  • isomers
  • charge transfer
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