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  • Source: Physical Chemistry Chemical Physics. Unidade: IQSC

    Subjects: METAIS, FÍSICO-QUÍMICA, ADSORÇÃO

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      MENDES, Paulo de Carvalho Dias e VERGA, Lucas Garcia e SILVA, Juarez Lopes Ferreira da. Ab initio screening of Pt-based transition-metal nanoalloys using descriptors derived from the adsorption and activation of CO2†. Physical Chemistry Chemical Physics, v. 23, p. 6029-6041, 2021Tradução . . Disponível em: https://doi.org/10.1039/d1cp00570g. Acesso em: 28 nov. 2025.
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      Mendes, P. de C. D., Verga, L. G., & Silva, J. L. F. da. (2021). Ab initio screening of Pt-based transition-metal nanoalloys using descriptors derived from the adsorption and activation of CO2†. Physical Chemistry Chemical Physics, 23, 6029-6041. doi:10.1039/d1cp00570g
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      Mendes P de CD, Verga LG, Silva JLF da. Ab initio screening of Pt-based transition-metal nanoalloys using descriptors derived from the adsorption and activation of CO2† [Internet]. Physical Chemistry Chemical Physics. 2021 ; 23 6029-6041.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1039/d1cp00570g
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      Mendes P de CD, Verga LG, Silva JLF da. Ab initio screening of Pt-based transition-metal nanoalloys using descriptors derived from the adsorption and activation of CO2† [Internet]. Physical Chemistry Chemical Physics. 2021 ; 23 6029-6041.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1039/d1cp00570g
  • Source: The Journal of Physical Chemistry C. Unidade: IQSC

    Subjects: CATALISADORES, NANOPARTÍCULAS

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      MENDES, Paulo de Carvalho Dias et al. Ab initio insights into the formation mechanisms of 55-atom Pt- based core−Shell Nanoalloys. The Journal of Physical Chemistry C, v. 124, n. 1, p. 1158-1164, 2020Tradução . . Disponível em: https://doi.org/10.1021/acs.jpcc.9b09561. Acesso em: 28 nov. 2025.
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      Mendes, P. de C. D., Justo, S. G., Mucelini, J., Soares, M. D., Batista, K. E. de A., Quiles, M. G., et al. (2020). Ab initio insights into the formation mechanisms of 55-atom Pt- based core−Shell Nanoalloys. The Journal of Physical Chemistry C, 124( 1), 1158-1164. doi:10.1021/acs.jpcc.9b09561
    • NLM

      Mendes P de CD, Justo SG, Mucelini J, Soares MD, Batista KE de A, Quiles MG, Piotrowski MJ, Silva JLF da. Ab initio insights into the formation mechanisms of 55-atom Pt- based core−Shell Nanoalloys [Internet]. The Journal of Physical Chemistry C. 2020 ; 124( 1): 1158-1164.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1021/acs.jpcc.9b09561
    • Vancouver

      Mendes P de CD, Justo SG, Mucelini J, Soares MD, Batista KE de A, Quiles MG, Piotrowski MJ, Silva JLF da. Ab initio insights into the formation mechanisms of 55-atom Pt- based core−Shell Nanoalloys [Internet]. The Journal of Physical Chemistry C. 2020 ; 124( 1): 1158-1164.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1021/acs.jpcc.9b09561
  • Source: Physical Chemistry Chemical Physics - PCCP. Unidade: IQSC

    Assunto: CLUSTERS

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      BESSE, Larissa Zibordi et al. Ab initio investigation of the formation mechanism of nano-interfaces between 3d-late transition-metals and ZrO2 nanoclusters. Physical Chemistry Chemical Physics - PCCP, v. 22, p. 8067-8076 Mar 2020, 2020Tradução . . Disponível em: https://doi.org/10.1039/D0CP00584C. Acesso em: 28 nov. 2025.
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      Besse, L. Z., Verga, L. G., Restrepo, V. k, & Silva, J. L. F. da. (2020). Ab initio investigation of the formation mechanism of nano-interfaces between 3d-late transition-metals and ZrO2 nanoclusters. Physical Chemistry Chemical Physics - PCCP, 22, 8067-8076 Mar 2020. doi:10.1039/D0CP00584C
    • NLM

      Besse LZ, Verga LG, Restrepo V k, Silva JLF da. Ab initio investigation of the formation mechanism of nano-interfaces between 3d-late transition-metals and ZrO2 nanoclusters [Internet]. Physical Chemistry Chemical Physics - PCCP. 2020 ;22 8067-8076 Mar 2020.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1039/D0CP00584C
    • Vancouver

      Besse LZ, Verga LG, Restrepo V k, Silva JLF da. Ab initio investigation of the formation mechanism of nano-interfaces between 3d-late transition-metals and ZrO2 nanoclusters [Internet]. Physical Chemistry Chemical Physics - PCCP. 2020 ;22 8067-8076 Mar 2020.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1039/D0CP00584C
  • Source: Applied Biochemistry and Biotechnology. Unidades: EP, Interunidades em Biotecnologia

    Subjects: METANOL, BIOPOLÍMEROS

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      CARDOSO, Letícia Oliveira Bispo et al. Increased P3HB accumulation capacity of methylorubrum sp. in response to discontinuous methanol addition. Applied Biochemistry and Biotechnology, v. 192, p. 846–860, 2020Tradução . . Disponível em: https://doi.org/10.1007/s12010-020-03369-9. Acesso em: 28 nov. 2025.
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      Cardoso, L. O. B., Karolski, B., Gracioso, L. H., Nascimento, C. A. O. do, & Perpetuo, E. A. (2020). Increased P3HB accumulation capacity of methylorubrum sp. in response to discontinuous methanol addition. Applied Biochemistry and Biotechnology, 192, 846–860. doi:10.1007/s12010-020-03369-9
    • NLM

      Cardoso LOB, Karolski B, Gracioso LH, Nascimento CAO do, Perpetuo EA. Increased P3HB accumulation capacity of methylorubrum sp. in response to discontinuous methanol addition [Internet]. Applied Biochemistry and Biotechnology. 2020 ; 192 846–860.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1007/s12010-020-03369-9
    • Vancouver

      Cardoso LOB, Karolski B, Gracioso LH, Nascimento CAO do, Perpetuo EA. Increased P3HB accumulation capacity of methylorubrum sp. in response to discontinuous methanol addition [Internet]. Applied Biochemistry and Biotechnology. 2020 ; 192 846–860.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1007/s12010-020-03369-9
  • Source: Surface Science. Unidade: IQSC

    Assunto: ADSORÇÃO

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      AMARAL, Rafael Costa et al. Unveiling the adsorption properties of 3d, 4d, and 5d metal adatoms on the MoS2 monolayer: A DFT-D3 investigation. Surface Science, v. No2020, p. 121700, 2020Tradução . . Disponível em: https://doi.org/10.1016/j.susc.2020.121700. Acesso em: 28 nov. 2025.
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      Amaral, R. C., Forhat, A., Caturello, N. A. M. S., & Silva, J. L. F. da. (2020). Unveiling the adsorption properties of 3d, 4d, and 5d metal adatoms on the MoS2 monolayer: A DFT-D3 investigation. Surface Science, No2020, 121700. doi:10.1016/j.susc.2020.121700
    • NLM

      Amaral RC, Forhat A, Caturello NAMS, Silva JLF da. Unveiling the adsorption properties of 3d, 4d, and 5d metal adatoms on the MoS2 monolayer: A DFT-D3 investigation [Internet]. Surface Science. 2020 ; No2020 121700.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1016/j.susc.2020.121700
    • Vancouver

      Amaral RC, Forhat A, Caturello NAMS, Silva JLF da. Unveiling the adsorption properties of 3d, 4d, and 5d metal adatoms on the MoS2 monolayer: A DFT-D3 investigation [Internet]. Surface Science. 2020 ; No2020 121700.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1016/j.susc.2020.121700
  • Source: The Journal of Physical Chemistry B. Unidade: IQSC

    Subjects: BATERIAS ELÉTRICAS, METAIS, LÍTIO, ELETRÓLITOS

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      LOURENÇO, Tuanan da Costa et al. Interfacial Structures in Ionic Liquid-Based Ternary Electrolytes for Lithium-Metal Batteries: A Molecular Dynamics Study. The Journal of Physical Chemistry B, v. 124, p. 9648−9657, 2020Tradução . . Disponível em: https://doi.org/10.1021/acs.jpcb.0c06500. Acesso em: 28 nov. 2025.
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      Lourenço, T. da C., Ebadi, M., Brandell, D., Silva, J. L. F. da, & Costa, L. T. da. (2020). Interfacial Structures in Ionic Liquid-Based Ternary Electrolytes for Lithium-Metal Batteries: A Molecular Dynamics Study. The Journal of Physical Chemistry B, 124, 9648−9657. doi:10.1021/acs.jpcb.0c06500
    • NLM

      Lourenço T da C, Ebadi M, Brandell D, Silva JLF da, Costa LT da. Interfacial Structures in Ionic Liquid-Based Ternary Electrolytes for Lithium-Metal Batteries: A Molecular Dynamics Study [Internet]. The Journal of Physical Chemistry B. 2020 ; 124 9648−9657.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1021/acs.jpcb.0c06500
    • Vancouver

      Lourenço T da C, Ebadi M, Brandell D, Silva JLF da, Costa LT da. Interfacial Structures in Ionic Liquid-Based Ternary Electrolytes for Lithium-Metal Batteries: A Molecular Dynamics Study [Internet]. The Journal of Physical Chemistry B. 2020 ; 124 9648−9657.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1021/acs.jpcb.0c06500
  • Source: Materials Advances. Unidade: IQSC

    Assunto: QUÍMICA TEÓRICA

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      OZÓRIO, Mailde da Silva et al. Novel zero-dimensional lead-free bismuth based perovskites:: from synthesis to structural and optoelectronic characterization. Materials Advances, v. 1, p. 3439-3448, 2020Tradução . . Disponível em: https://doi.org/10.1039/d0ma00791a. Acesso em: 28 nov. 2025.
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      Ozório, M. da S., Oliveira, W. X. C., Silveira, J. F. R. V., Nogueira, A. F., & Silva, J. L. F. da. (2020). Novel zero-dimensional lead-free bismuth based perovskites:: from synthesis to structural and optoelectronic characterization. Materials Advances, 1, 3439-3448. doi:10.1039/d0ma00791a
    • NLM

      Ozório M da S, Oliveira WXC, Silveira JFRV, Nogueira AF, Silva JLF da. Novel zero-dimensional lead-free bismuth based perovskites:: from synthesis to structural and optoelectronic characterization [Internet]. Materials Advances. 2020 ; 1 3439-3448.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1039/d0ma00791a
    • Vancouver

      Ozório M da S, Oliveira WXC, Silveira JFRV, Nogueira AF, Silva JLF da. Novel zero-dimensional lead-free bismuth based perovskites:: from synthesis to structural and optoelectronic characterization [Internet]. Materials Advances. 2020 ; 1 3439-3448.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1039/d0ma00791a
  • Source: Physical Chemistry Chemical Physics - PCCP. Unidade: IQSC

    Assunto: FÍSICO-QUÍMICA

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      CATURELLO, Naidel A. M. S e SILVEIRA, Julian Francisco Rama Vieira e SILVA, Juarez Lopes Ferreira da. Ab initio insights into the stabilization and binding mechanisms of MoS2 nanoflakes supported on graphene. Physical Chemistry Chemical Physics - PCCP, v. 22, p. 26865--26875, 2020Tradução . . Disponível em: https://doi.org/10.1039/D0CP04573J. Acesso em: 28 nov. 2025.
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      Caturello, N. A. M. S., Silveira, J. F. R. V., & Silva, J. L. F. da. (2020). Ab initio insights into the stabilization and binding mechanisms of MoS2 nanoflakes supported on graphene. Physical Chemistry Chemical Physics - PCCP, 22, 26865--26875. doi:10.1039/D0CP04573J
    • NLM

      Caturello NAMS, Silveira JFRV, Silva JLF da. Ab initio insights into the stabilization and binding mechanisms of MoS2 nanoflakes supported on graphene [Internet]. Physical Chemistry Chemical Physics - PCCP. 2020 ;22 26865--26875.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1039/D0CP04573J
    • Vancouver

      Caturello NAMS, Silveira JFRV, Silva JLF da. Ab initio insights into the stabilization and binding mechanisms of MoS2 nanoflakes supported on graphene [Internet]. Physical Chemistry Chemical Physics - PCCP. 2020 ;22 26865--26875.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1039/D0CP04573J
  • Source: Electrochemistry Communications. Unidade: IQSC

    Subjects: METANOL, ELETROCATÁLISE

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      NOGUEIRA, Jéssica Alves et al. Active electrochemical interfaces stabilized through self-organized potential oscillations. Electrochemistry Communications, v. 121 art. 106853, 2020Tradução . . Disponível em: https://doi.org/10.1016/j.elecom.2020.106853. Acesso em: 28 nov. 2025.
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      Nogueira, J. A., Lopes, P. P., Markovic, N. M., & Varela, H. (2020). Active electrochemical interfaces stabilized through self-organized potential oscillations. Electrochemistry Communications, 121 art. 106853. doi:10.1016/j.elecom.2020.106853
    • NLM

      Nogueira JA, Lopes PP, Markovic NM, Varela H. Active electrochemical interfaces stabilized through self-organized potential oscillations [Internet]. Electrochemistry Communications. 2020 ; 121 art. 106853[citado 2025 nov. 28 ] Available from: https://doi.org/10.1016/j.elecom.2020.106853
    • Vancouver

      Nogueira JA, Lopes PP, Markovic NM, Varela H. Active electrochemical interfaces stabilized through self-organized potential oscillations [Internet]. Electrochemistry Communications. 2020 ; 121 art. 106853[citado 2025 nov. 28 ] Available from: https://doi.org/10.1016/j.elecom.2020.106853
  • Source: Journal of Physical Chemistry A. Unidades: IQSC, ICMC

    Assunto: QUÍMICA QUÂNTICA

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      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: 28 nov. 2025.
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      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 2025 nov. 28 ] 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 2025 nov. 28 ] Available from: https://doi.org/10.1021/acs.jpca.0c05969
  • Source: Proceedings. Conference titles: International Conference on Sensing Technology (ICST). Unidade: EESC

    Subjects: CLOROFILA, DEPOSIÇÃO DE SEDIMENTOS, REDES NEURAIS

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      KUPSSINSKÜ, Lucas Silveira et al. Prediction of chlorophyll-a and suspended solids through remote sensing and artificial neural networks. Proceedings. Sydney: IEEE. Disponível em: https://doi.org/10.1109/ICST46873.2019.9047682. Acesso em: 28 nov. 2025. , 2019
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      Kupssinskü, L. S., Guimarães, T. T., Freitas, R. de, Souza, E. M. de, Rossa, P., Marques Junior, A., et al. (2019). Prediction of chlorophyll-a and suspended solids through remote sensing and artificial neural networks. Proceedings. Sydney: IEEE. doi:10.1109/ICST46873.2019.9047682
    • NLM

      Kupssinskü LS, Guimarães TT, Freitas R de, Souza EM de, Rossa P, Marques Junior A, Veronez MR, Gonzaga Junior L, Cazarin CL, Mauad FF. Prediction of chlorophyll-a and suspended solids through remote sensing and artificial neural networks [Internet]. Proceedings. 2019 ;[citado 2025 nov. 28 ] Available from: https://doi.org/10.1109/ICST46873.2019.9047682
    • Vancouver

      Kupssinskü LS, Guimarães TT, Freitas R de, Souza EM de, Rossa P, Marques Junior A, Veronez MR, Gonzaga Junior L, Cazarin CL, Mauad FF. Prediction of chlorophyll-a and suspended solids through remote sensing and artificial neural networks [Internet]. Proceedings. 2019 ;[citado 2025 nov. 28 ] Available from: https://doi.org/10.1109/ICST46873.2019.9047682
  • Source: Physical Chemistry Chemical Physics. Unidade: IQSC

    Subjects: FÍSICO-QUÍMICA, NANOPARTÍCULAS

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      FELÍCIO-SOUSA, Priscilla et al. Ab initio insights into the structural, energetic, electronic, and stability properties of mixed CenZr15 nO30 nanoclusters. Physical Chemistry Chemical Physics, v. 21, p. 26637-26646, 2019Tradução . . Disponível em: https://doi-org.ez67.periodicos.capes.gov.br/10.1039/C9CP04762J. Acesso em: 28 nov. 2025.
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      Felício-Sousa, P., Mucelini, J., Besse, L. Z., Andriani, K. F., Seminovski, Y., Prati, R. C., & Silva, J. L. F. da. (2019). Ab initio insights into the structural, energetic, electronic, and stability properties of mixed CenZr15 nO30 nanoclusters. Physical Chemistry Chemical Physics, 21, 26637-26646. doi:10.1039/c9cp04762j
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      Felício-Sousa P, Mucelini J, Besse LZ, Andriani KF, Seminovski Y, Prati RC, Silva JLF da. Ab initio insights into the structural, energetic, electronic, and stability properties of mixed CenZr15 nO30 nanoclusters [Internet]. Physical Chemistry Chemical Physics. 2019 ; 21 26637-26646.[citado 2025 nov. 28 ] Available from: https://doi-org.ez67.periodicos.capes.gov.br/10.1039/C9CP04762J
    • Vancouver

      Felício-Sousa P, Mucelini J, Besse LZ, Andriani KF, Seminovski Y, Prati RC, Silva JLF da. Ab initio insights into the structural, energetic, electronic, and stability properties of mixed CenZr15 nO30 nanoclusters [Internet]. Physical Chemistry Chemical Physics. 2019 ; 21 26637-26646.[citado 2025 nov. 28 ] Available from: https://doi-org.ez67.periodicos.capes.gov.br/10.1039/C9CP04762J
  • Source: Journal of Computational Physics. Unidade: ICMC

    Subjects: DIFERENÇAS FINITAS, FLUXO DOS FLUÍDOS, CONVERGÊNCIA, MÍNIMOS QUADRADOS

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      SOUSA, Fabricio Simeoni de et al. A finite difference method with meshless interpolation for incompressible flows in non-graded tree-based grids. Journal of Computational Physics, v. 396, p. 848-866, 2019Tradução . . Disponível em: https://doi.org/10.1016/j.jcp.2019.07.011. Acesso em: 28 nov. 2025.
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      Sousa, F. S. de, Lages, C. F. A., Ansoni, J. L., Castelo, A., & Simão, A. da S. (2019). A finite difference method with meshless interpolation for incompressible flows in non-graded tree-based grids. Journal of Computational Physics, 396, 848-866. doi:10.1016/j.jcp.2019.07.011
    • NLM

      Sousa FS de, Lages CFA, Ansoni JL, Castelo A, Simão A da S. A finite difference method with meshless interpolation for incompressible flows in non-graded tree-based grids [Internet]. Journal of Computational Physics. 2019 ; 396 848-866.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1016/j.jcp.2019.07.011
    • Vancouver

      Sousa FS de, Lages CFA, Ansoni JL, Castelo A, Simão A da S. A finite difference method with meshless interpolation for incompressible flows in non-graded tree-based grids [Internet]. Journal of Computational Physics. 2019 ; 396 848-866.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1016/j.jcp.2019.07.011
  • Source: Engenharia Sanitaria e Ambiental. Unidade: EP

    Subjects: ÓLEOS MINERAIS COMO COMBUSTÍVEIS, RNA

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      GUIMARÃES, Adriana Karla Virgolino et al. Estudo da caracterização da borra de petróleo e processo de extração do óleo. Engenharia Sanitaria e Ambiental, v. 23, n. 2, p. 265-274, 2016Tradução . . Disponível em: https://doi.org/10.1590/s1413-41522016139564. Acesso em: 28 nov. 2025.
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      Guimarães, A. K. V., Chiavone Filho, O., Nascimento, C. A. O. do, Teixeira, A. C. S. C., & Melo, H. N. de S. (2016). Estudo da caracterização da borra de petróleo e processo de extração do óleo. Engenharia Sanitaria e Ambiental, 23( 2), 265-274. doi:10.1590/s1413-41522016139564
    • NLM

      Guimarães AKV, Chiavone Filho O, Nascimento CAO do, Teixeira ACSC, Melo HN de S. Estudo da caracterização da borra de petróleo e processo de extração do óleo [Internet]. Engenharia Sanitaria e Ambiental. 2016 ; 23( 2): 265-274.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1590/s1413-41522016139564
    • Vancouver

      Guimarães AKV, Chiavone Filho O, Nascimento CAO do, Teixeira ACSC, Melo HN de S. Estudo da caracterização da borra de petróleo e processo de extração do óleo [Internet]. Engenharia Sanitaria e Ambiental. 2016 ; 23( 2): 265-274.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1590/s1413-41522016139564

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