A DFT/TDDFT Investigation of Excited-State Intramolecular Proton Transfer Mechanism of New Chromophore

Authors

  • Jinfeng Zhao, Peng Song & Fengcai Ma

DOI:

https://doi.org/10.4208/cicc.2014.v2.n4.3

Keywords:

Excited‐State Intramolecular Proton Transfer, Electronic Spectra, Frontier Molecular Orbitals, Potential Energy Surface.

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Published

2022-05-18

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Issue

Vol. 2 No. 4 (2014)

Section

Articles

How to Cite

A DFT/TDDFT Investigation of Excited-State Intramolecular Proton Transfer Mechanism of New Chromophore. (2022). Communications in Computational Chemistry, 2(4), 146-157. https://doi.org/10.4208/cicc.2014.v2.n4.3