An electronic structure investigation of excited state intramolecular proton transfer in amino-benzazole derivatives: Relative energies and electron density descriptors (2023)
- Authors:
- USP affiliated authors: HAIDUKE, ROBERTO LUIZ ANDRADE - IQSC ; MENDES, RODRIGO ARAÚJO - IQSC
- Unidade: IQSC
- DOI: 10.1016/j.jphotochem.2023.114738
- Subjects: ESTRUTURA ELETRÔNICA; QUÍMICA TEÓRICA
- Keywords: DFT; ESIPT; TDDFT; QTAIM; Amino-benzazole derivatives; Electron density descriptors
- Agências de fomento:
- Language: Inglês
- Imprenta:
- Source:
- Título: Journal of Photochemistry and Photobiology, A: Chemistry
- ISSN: 1873-2666
- Volume/Número/Paginação/Ano: v.441, p.114738, 2023
- Este periódico é de assinatura
- Este artigo NÃO é de acesso aberto
- Cor do Acesso Aberto: closed
-
ABNT
MENDES, Rodrigo Araujo e MATA, V.A.S. da e HAIDUKE, Roberto Luiz Andrade. An electronic structure investigation of excited state intramolecular proton transfer in amino-benzazole derivatives: Relative energies and electron density descriptors. Journal of Photochemistry and Photobiology, A: Chemistry, v. 441, p. 114738, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.jphotochem.2023.114738. Acesso em: 09 jan. 2026. -
APA
Mendes, R. A., Mata, V. A. S. da, & Haiduke, R. L. A. (2023). An electronic structure investigation of excited state intramolecular proton transfer in amino-benzazole derivatives: Relative energies and electron density descriptors. Journal of Photochemistry and Photobiology, A: Chemistry, 441, 114738. doi:10.1016/j.jphotochem.2023.114738 -
NLM
Mendes RA, Mata VAS da, Haiduke RLA. An electronic structure investigation of excited state intramolecular proton transfer in amino-benzazole derivatives: Relative energies and electron density descriptors [Internet]. Journal of Photochemistry and Photobiology, A: Chemistry. 2023 ;441 114738.[citado 2026 jan. 09 ] Available from: https://doi.org/10.1016/j.jphotochem.2023.114738 -
Vancouver
Mendes RA, Mata VAS da, Haiduke RLA. An electronic structure investigation of excited state intramolecular proton transfer in amino-benzazole derivatives: Relative energies and electron density descriptors [Internet]. Journal of Photochemistry and Photobiology, A: Chemistry. 2023 ;441 114738.[citado 2026 jan. 09 ] Available from: https://doi.org/10.1016/j.jphotochem.2023.114738 - Performance of new exchange–correlation functionals in providing vertical excitation energies of metal complexes
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Informações sobre o DOI: 10.1016/j.jphotochem.2023.114738 (Fonte: oaDOI API)
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