Prediction of 15N NMR chemical shifts for nitrogenated aromatic compounds (2020)
- Authors:
- USP affiliated authors: BRAGA, ATAUALPA ALBERT CARMO - IQ ; OLIVEIRA, MARCELO TAVARES DE - IQSC ; ALVES, JÚLIA MARIA ARAGON - IQSC ; MORAIS, SARA FIGUEIRÊDO DE ALCÂNTARA - IQ
- Unidades: IQ; IQSC
- DOI: 10.24820/ark.5550190.p011.135
- Subjects: QUÍMICA ORGÂNICA; RESSONÂNCIA MAGNÉTICA NUCLEAR
- Keywords: chemical shifts; structure elucidation; density-functional theory; polarizable continuum model; C−N
- Agências de fomento:
- Language: Inglês
- Imprenta:
- Publisher place: Gainesville
- Date published: 2020
- Source:
- Título: ARKIVOC - Archive for Organic Chemistry
- ISSN: 1551-7012
- Volume/Número/Paginação/Ano: part.ii, p. 113-122, Apr 20 2020
- Status:
- Artigo publicado em periódico de acesso aberto (Gold Open Access)
- Versão do Documento:
- Versão publicada (Published version)
- Acessar versão aberta:
-
ABNT
OLIVEIRA, Marcelo Tavares de et al. Prediction of 15N NMR chemical shifts for nitrogenated aromatic compounds. ARKIVOC - Archive for Organic Chemistry, p. 113-122, 2020Tradução . . Disponível em: https://doi.org/10.24820/ark.5550190.p011.135. Acesso em: 10 abr. 2026. -
APA
Oliveira, M. T. de, Alves, J. M. A., Morais, S. F. de A., & Braga, A. A. C. (2020). Prediction of 15N NMR chemical shifts for nitrogenated aromatic compounds. ARKIVOC - Archive for Organic Chemistry, 113-122. doi:10.24820/ark.5550190.p011.135 -
NLM
Oliveira MT de, Alves JMA, Morais SF de A, Braga AAC. Prediction of 15N NMR chemical shifts for nitrogenated aromatic compounds [Internet]. ARKIVOC - Archive for Organic Chemistry. 2020 ; 113-122.[citado 2026 abr. 10 ] Available from: https://doi.org/10.24820/ark.5550190.p011.135 -
Vancouver
Oliveira MT de, Alves JMA, Morais SF de A, Braga AAC. Prediction of 15N NMR chemical shifts for nitrogenated aromatic compounds [Internet]. ARKIVOC - Archive for Organic Chemistry. 2020 ; 113-122.[citado 2026 abr. 10 ] Available from: https://doi.org/10.24820/ark.5550190.p011.135 - Do Double-Hybrid Exchange−Correlation Functionals Provide Accurate Chemical Shifts? A Benchmark Assessment for Proton NMR
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