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Qinghu Ni

affiliation not provided to SSRN

  • affiliation not provided to SSRN

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A Tddft Exploration on the Excited-State Intramolecular Proton Transfer in 2-(2'-Hydroxyphenyl)-Benzimidazole Derivatives

Number of pages: 35 Posted: 16 Jul 2024
Mingxia Hu, Yu Li, Qinghu Ni, Yanrong Jia, Jingtao Zhu and Yanying Zhao
affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN and Zhejiang Sci-tech University
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Abstract:

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HBIgen, Excited state intramolecular proton transfer reaction, Twisted intramolecular charge transfer, NICS, Stokes' shift, Time-dependent density functional theory