A computacional study of substituted flavylium salts and their quinonoidal conjugate-bases: S0->S1 electronic transition, absolute pKa and reduction potential calculations by DFT and semiempirical methods (2007)
- Authors:
- USP affiliated authors: DIAS, LUIS GUSTAVO - FFCLRP ; QUINA, FRANK HERBERT - IQ
- Unidades: FFCLRP; IQ
- DOI: 10.1590/s0103-50532007000800014
- Subjects: BASES (QUÍMICA INORGÂNICA); SAIS
- Language: Inglês
- Imprenta:
- Source:
- Título: Journal of the Brazilian Chemical Society
- ISSN: 0103-5053
- Volume/Número/Paginação/Ano: v. 18, n. 8, p. 1537-1546, 2007
- Este artigo possui versão em acesso aberto
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- Versão do Documento: Versão publicada (Published version)
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Status: Artigo publicado em periódico de acesso aberto (Gold Open Access) -
ABNT
FREITAS, Adilson A. et al. A computacional study of substituted flavylium salts and their quinonoidal conjugate-bases: S0->S1 electronic transition, absolute pKa and reduction potential calculations by DFT and semiempirical methods. Journal of the Brazilian Chemical Society, v. 18, n. 8, p. 1537-1546, 2007Tradução . . Disponível em: https://doi.org/10.1590/s0103-50532007000800014. Acesso em: 17 mar. 2026. -
APA
Freitas, A. A., Shimizu, K., Dias, L. G., & Quina, F. H. (2007). A computacional study of substituted flavylium salts and their quinonoidal conjugate-bases: S0->S1 electronic transition, absolute pKa and reduction potential calculations by DFT and semiempirical methods. Journal of the Brazilian Chemical Society, 18( 8), 1537-1546. doi:10.1590/s0103-50532007000800014 -
NLM
Freitas AA, Shimizu K, Dias LG, Quina FH. A computacional study of substituted flavylium salts and their quinonoidal conjugate-bases: S0->S1 electronic transition, absolute pKa and reduction potential calculations by DFT and semiempirical methods [Internet]. Journal of the Brazilian Chemical Society. 2007 ; 18( 8): 1537-1546.[citado 2026 mar. 17 ] Available from: https://doi.org/10.1590/s0103-50532007000800014 -
Vancouver
Freitas AA, Shimizu K, Dias LG, Quina FH. A computacional study of substituted flavylium salts and their quinonoidal conjugate-bases: S0->S1 electronic transition, absolute pKa and reduction potential calculations by DFT and semiempirical methods [Internet]. Journal of the Brazilian Chemical Society. 2007 ; 18( 8): 1537-1546.[citado 2026 mar. 17 ] Available from: https://doi.org/10.1590/s0103-50532007000800014 - Substituent effects on the pH-dependent multiequilibria of flavylium salt analogs og anthocyanins
- Estudo DFT da hidrólise de sais de flavílio substituídos
- A computacional study of substituted flavylium salts and their quinonoidal conjugate-bases: S0->S1 electronic transition, absolute pKa and reduction potential calculations by DFT and semiempirical methods
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