Hydrazone-based materials; dft, td-dft, nbo analysis, fukui function, mesp analysis, and solar cell applications

HIGHLIGHTS

  • who: Mahmoud A. S. Sakr from the Department of Chemistry, Center of Basic Science (CBS), Misr University for Science and Technology (MUST), Al‑Motamayez District, th of the October City, Giza, Egypt have published the article: Hydrazone-based Materials; DFT, TD-DFT, NBO Analysis, Fukui Function, MESP Analysis, and Solar Cell Applications, in the Journal: (JOURNAL)
  • how: The anticancer results showed that those compounds exhibit the most prominent effect on breast cancer cells .

SUMMARY

    The HOMO energy MOs of all studied MSs are ordered as follow; BBTC and amp;lt; BTC . . .

     

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