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Filtros : "Oliveira, Marcelo T. de" Limpar

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  • Artigo de periodico

    A comprehensive benchmark investigation of quantum chemical methods for carbocations (2023)

    Oliveira, Marcelo T. de ; Alves, Júlia M. A; Vrech, Natália Lussari ; Braga, Ataualpa Albert Carmo ; Barboza, Cristina A

    Source: Physical Chemistry Chemical Physics. Unidade: IQ

    Assunto: QUÍMICA QUÂNTICA

    PrivadoAcesso à fonteDOIHow to cite
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    • ABNT

      OLIVEIRA, Marcelo T. de et al. A comprehensive benchmark investigation of quantum chemical methods for carbocations. Physical Chemistry Chemical Physics, v. 25, n. 3, p. 1903–1922, 2023Tradução . . Disponível em: https://doi.org/10.1039/d2cp04603b. Acesso em: 28 abr. 2024.

    • APA

      Oliveira, M. T. de, Alves, J. M. A., Vrech, N. L., Braga, A. A. C., & Barboza, C. A. (2023). A comprehensive benchmark investigation of quantum chemical methods for carbocations. Physical Chemistry Chemical Physics, 25( 3), 1903–1922. doi:10.1039/d2cp04603b

    • NLM

      Oliveira MT de, Alves JMA, Vrech NL, Braga AAC, Barboza CA. A comprehensive benchmark investigation of quantum chemical methods for carbocations [Internet]. Physical Chemistry Chemical Physics. 2023 ; 25( 3): 1903–1922.[citado 2024 abr. 28 ] Available from: https://doi.org/10.1039/d2cp04603b

    • Vancouver

      Oliveira MT de, Alves JMA, Vrech NL, Braga AAC, Barboza CA. A comprehensive benchmark investigation of quantum chemical methods for carbocations [Internet]. Physical Chemistry Chemical Physics. 2023 ; 25( 3): 1903–1922.[citado 2024 abr. 28 ] Available from: https://doi.org/10.1039/d2cp04603b

  • Artigo de periodico

    Do Double-Hybrid Exchange−Correlation Functionals Provide Accurate Chemical Shifts? A Benchmark Assessment for Proton NMR (2021)

    Oliveira, Marcelo T. de; Alves, Júlia M.A.; Braga, Ataualpa Albert Carmo ; Wilson, David J. D.; Cristina A. Barboza

    Source: Journal of Chemical Theory and Computation. Unidades: IQ, IQSC

    Assunto: RESSONÂNCIA MAGNÉTICA NUCLEAR

    PrivadoAcesso à fonteDOIHow to cite
    A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas

    • ABNT

      OLIVEIRA, Marcelo T. de et al. Do Double-Hybrid Exchange−Correlation Functionals Provide Accurate Chemical Shifts? A Benchmark Assessment for Proton NMR. Journal of Chemical Theory and Computation, v. 17, p. 6876-6885, 2021Tradução . . Disponível em: https://doi.org/10.1021/acs.jctc.1c00604. Acesso em: 28 abr. 2024.

    • APA

      Oliveira, M. T. de, Alves, J. M. A., Braga, A. A. C., Wilson, D. J. D., & Cristina A. Barboza,. (2021). Do Double-Hybrid Exchange−Correlation Functionals Provide Accurate Chemical Shifts? A Benchmark Assessment for Proton NMR. Journal of Chemical Theory and Computation, 17, 6876-6885. doi:10.1021/acs.jctc.1c00604

    • NLM

      Oliveira MT de, Alves JMA, Braga AAC, Wilson DJD, Cristina A. Barboza. Do Double-Hybrid Exchange−Correlation Functionals Provide Accurate Chemical Shifts? A Benchmark Assessment for Proton NMR [Internet]. Journal of Chemical Theory and Computation. 2021 ;17 6876-6885.[citado 2024 abr. 28 ] Available from: https://doi.org/10.1021/acs.jctc.1c00604

    • Vancouver

      Oliveira MT de, Alves JMA, Braga AAC, Wilson DJD, Cristina A. Barboza. Do Double-Hybrid Exchange−Correlation Functionals Provide Accurate Chemical Shifts? A Benchmark Assessment for Proton NMR [Internet]. Journal of Chemical Theory and Computation. 2021 ;17 6876-6885.[citado 2024 abr. 28 ] Available from: https://doi.org/10.1021/acs.jctc.1c00604
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