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Filtros : "Journal of Physical Chemistry A" "SILVA, JUAREZ LOPES FERREIRA DA" Removido: "Espanha" Limpar

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  • Artigo de periodico

    Machine Learning Prediction of Nine Molecular Properties Based on the SMILES Representation of the QM9 Quantum-Chemistry Dataset (2020)

    Pinheiro, Gabriel A.; Mucelini, Johnatan ; Soares, Marinalva Dias ; Prati, Ronaldo Cristiano ; Silva, Juarez Lopes Ferreira da ; Quiles, Marcos Gonçalves

    Source: Journal of Physical Chemistry A. Unidades: IQSC, ICMC

    Assunto: QUÍMICA QUÂNTICA

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    • ABNT

      PINHEIRO, Gabriel A. et al. Machine Learning Prediction of Nine Molecular Properties Based on the SMILES Representation of the QM9 Quantum-Chemistry Dataset. Journal of Physical Chemistry A, v. No 2020, n. 47, p. 9854–9866, 2020Tradução . . Disponível em: https://doi.org/10.1021/acs.jpca.0c05969. Acesso em: 10 nov. 2024.

    • APA

      Pinheiro, G. A., Mucelini, J., Soares, M. D., Prati, R. C., Silva, J. L. F. da, & Quiles, M. G. (2020). Machine Learning Prediction of Nine Molecular Properties Based on the SMILES Representation of the QM9 Quantum-Chemistry Dataset. Journal of Physical Chemistry A, No 2020( 47), 9854–9866. doi:10.1021/acs.jpca.0c05969

    • NLM

      Pinheiro GA, Mucelini J, Soares MD, Prati RC, Silva JLF da, Quiles MG. Machine Learning Prediction of Nine Molecular Properties Based on the SMILES Representation of the QM9 Quantum-Chemistry Dataset [Internet]. Journal of Physical Chemistry A. 2020 ; No 2020( 47): 9854–9866.[citado 2024 nov. 10 ] Available from: https://doi.org/10.1021/acs.jpca.0c05969

    • Vancouver

      Pinheiro GA, Mucelini J, Soares MD, Prati RC, Silva JLF da, Quiles MG. Machine Learning Prediction of Nine Molecular Properties Based on the SMILES Representation of the QM9 Quantum-Chemistry Dataset [Internet]. Journal of Physical Chemistry A. 2020 ; No 2020( 47): 9854–9866.[citado 2024 nov. 10 ] Available from: https://doi.org/10.1021/acs.jpca.0c05969

  • Artigo de periodico

    Ethanol and water adsorption on transition-metal 13-atom clusters: a density functional theory investigation within van der Waals corrections (2016)

    Zibordi-Besse, Larissa; Tereshchuk, Polina; Chaves, Anderson Silva; Silva, Juarez Lopes Ferreira da

    Source: Journal of Physical Chemistry A. Unidade: IQSC

    Assunto: ELEMENTOS DE TRANSIÇÃO

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    • ABNT

      ZIBORDI-BESSE, Larissa et al. Ethanol and water adsorption on transition-metal 13-atom clusters: a density functional theory investigation within van der Waals corrections. Journal of Physical Chemistry A, v. 120, n. 24, p. 4231-4240, 2016Tradução . . Disponível em: https://doi.org/10.1021/acs.jpca.6b03467. Acesso em: 10 nov. 2024.

    • APA

      Zibordi-Besse, L., Tereshchuk, P., Chaves, A. S., & Silva, J. L. F. da. (2016). Ethanol and water adsorption on transition-metal 13-atom clusters: a density functional theory investigation within van der Waals corrections. Journal of Physical Chemistry A, 120( 24), 4231-4240. doi:10.1021/acs.jpca.6b03467

    • NLM

      Zibordi-Besse L, Tereshchuk P, Chaves AS, Silva JLF da. Ethanol and water adsorption on transition-metal 13-atom clusters: a density functional theory investigation within van der Waals corrections [Internet]. Journal of Physical Chemistry A. 2016 ;120( 24): 4231-4240.[citado 2024 nov. 10 ] Available from: https://doi.org/10.1021/acs.jpca.6b03467

    • Vancouver

      Zibordi-Besse L, Tereshchuk P, Chaves AS, Silva JLF da. Ethanol and water adsorption on transition-metal 13-atom clusters: a density functional theory investigation within van der Waals corrections [Internet]. Journal of Physical Chemistry A. 2016 ;120( 24): 4231-4240.[citado 2024 nov. 10 ] Available from: https://doi.org/10.1021/acs.jpca.6b03467

  • Artigo de periodico

    Theoretical investigation of the adsorption properties of CO, NO, and OH on monometallic and bimetallic 13-atom clusters: the example of Cu13, Pt7Cu6, and Pt13 (2015)

    Chaves, Anderson Silva; Piotrowski, Maurício Jeomar; Guedes Sobrinho, Diego; Silva, Juarez Lopes Ferreira da

    Source: Journal of Physical Chemistry A. Unidade: IQSC

    Assunto: QUÍMICA QUÂNTICA

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    • ABNT

      CHAVES, Anderson Silva et al. Theoretical investigation of the adsorption properties of CO, NO, and OH on monometallic and bimetallic 13-atom clusters: the example of Cu13, Pt7Cu6, and Pt13. Journal of Physical Chemistry A, v. 119, n. 47, p. 11565-11573, 2015Tradução . . Disponível em: https://doi.org/10.1021/acs.jpca.5b08330. Acesso em: 10 nov. 2024.

    • APA

      Chaves, A. S., Piotrowski, M. J., Guedes Sobrinho, D., & Silva, J. L. F. da. (2015). Theoretical investigation of the adsorption properties of CO, NO, and OH on monometallic and bimetallic 13-atom clusters: the example of Cu13, Pt7Cu6, and Pt13. Journal of Physical Chemistry A, 119( 47), 11565-11573. doi:10.1021/acs.jpca.5b08330

    • NLM

      Chaves AS, Piotrowski MJ, Guedes Sobrinho D, Silva JLF da. Theoretical investigation of the adsorption properties of CO, NO, and OH on monometallic and bimetallic 13-atom clusters: the example of Cu13, Pt7Cu6, and Pt13 [Internet]. Journal of Physical Chemistry A. 2015 ; 119( 47): 11565-11573.[citado 2024 nov. 10 ] Available from: https://doi.org/10.1021/acs.jpca.5b08330

    • Vancouver

      Chaves AS, Piotrowski MJ, Guedes Sobrinho D, Silva JLF da. Theoretical investigation of the adsorption properties of CO, NO, and OH on monometallic and bimetallic 13-atom clusters: the example of Cu13, Pt7Cu6, and Pt13 [Internet]. Journal of Physical Chemistry A. 2015 ; 119( 47): 11565-11573.[citado 2024 nov. 10 ] Available from: https://doi.org/10.1021/acs.jpca.5b08330

  • Artigo de periodico

    The Role of Charge States in the Atomic Structure of Cun and Ptn (n = 2–14 atoms) Clusters: A DFT Investigation (2014)

    Chaves, Anderson Silva; Rondina, Gustavo Garcia; Piotrowski, Maurício Jeomar; Tereshchuk, Polina; Silva, Juarez Lopes Ferreira da

    Source: Journal of Physical Chemistry A. Unidade: IQSC

    Assunto: FÍSICO-QUÍMICA

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    • ABNT

      CHAVES, Anderson Silva et al. The Role of Charge States in the Atomic Structure of Cun and Ptn (n = 2–14 atoms) Clusters: A DFT Investigation. Journal of Physical Chemistry A, v. 118, n. 45, p. 10813-10821, 2014Tradução . . Disponível em: https://doi.org/10.1021/jp508220h. Acesso em: 10 nov. 2024.

    • APA

      Chaves, A. S., Rondina, G. G., Piotrowski, M. J., Tereshchuk, P., & Silva, J. L. F. da. (2014). The Role of Charge States in the Atomic Structure of Cun and Ptn (n = 2–14 atoms) Clusters: A DFT Investigation. Journal of Physical Chemistry A, 118( 45), 10813-10821. doi:10.1021/jp508220h

    • NLM

      Chaves AS, Rondina GG, Piotrowski MJ, Tereshchuk P, Silva JLF da. The Role of Charge States in the Atomic Structure of Cun and Ptn (n = 2–14 atoms) Clusters: A DFT Investigation [Internet]. Journal of Physical Chemistry A. 2014 ; 118( 45): 10813-10821.[citado 2024 nov. 10 ] Available from: https://doi.org/10.1021/jp508220h

    • Vancouver

      Chaves AS, Rondina GG, Piotrowski MJ, Tereshchuk P, Silva JLF da. The Role of Charge States in the Atomic Structure of Cun and Ptn (n = 2–14 atoms) Clusters: A DFT Investigation [Internet]. Journal of Physical Chemistry A. 2014 ; 118( 45): 10813-10821.[citado 2024 nov. 10 ] Available from: https://doi.org/10.1021/jp508220h
  • 1

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