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  • Source: Physical Chemistry Chemical Physics. Unidade: IQSC

    Subjects: FÍSICO-QUÍMICA, NANOPARTÍCULAS

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    • ABNT

      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: 30 abr. 2024.
    • APA

      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
    • NLM

      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 2024 abr. 30 ] 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 2024 abr. 30 ] Available from: https://doi-org.ez67.periodicos.capes.gov.br/10.1039/C9CP04762J
  • Source: Surface Science. Unidade: IQSC

    Subjects: ADSORÇÃO, ÁGUA, ETANOL

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    • ABNT

      SEMINOVSKI, Yohanna et al. Role of the anionic and cationic pt sites in the adsorption site preference of water and ethanol on defected Pt4/Pt(111) substrates: a density functional theory investigation within the D3 van der waals corrections. Surface Science, v. 667, p. 84-91, 2018Tradução . . Disponível em: https://doi.org/10.1016/j.sus.2017.10.002. Acesso em: 30 abr. 2024.
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      Seminovski, Y., Amaral, R. C., Tereshchuk, P., & Silva, J. L. F. da. (2018). Role of the anionic and cationic pt sites in the adsorption site preference of water and ethanol on defected Pt4/Pt(111) substrates: a density functional theory investigation within the D3 van der waals corrections. Surface Science, 667, 84-91. doi:10.1016/j.sus.2017.10.002
    • NLM

      Seminovski Y, Amaral RC, Tereshchuk P, Silva JLF da. Role of the anionic and cationic pt sites in the adsorption site preference of water and ethanol on defected Pt4/Pt(111) substrates: a density functional theory investigation within the D3 van der waals corrections [Internet]. Surface Science. 2018 ; 667 84-91.[citado 2024 abr. 30 ] Available from: https://doi.org/10.1016/j.sus.2017.10.002
    • Vancouver

      Seminovski Y, Amaral RC, Tereshchuk P, Silva JLF da. Role of the anionic and cationic pt sites in the adsorption site preference of water and ethanol on defected Pt4/Pt(111) substrates: a density functional theory investigation within the D3 van der waals corrections [Internet]. Surface Science. 2018 ; 667 84-91.[citado 2024 abr. 30 ] Available from: https://doi.org/10.1016/j.sus.2017.10.002
  • Source: Journal of Physical Chemistry C. Unidade: IQSC

    Assunto: FÍSICO-QUÍMICA

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    • ABNT

      ZIBORDI-BESSE, Larissa et al. Physical and Chemical Properties of Unsupported (MO2)n Clusters for M = Ti, Zr, or Ce and n = 1–15:: A Density Functional Theory Study Combined with the Tree-Growth Scheme and Euclidean Similarity Distance Algorithm. Journal of Physical Chemistry C, v. 122, p. 27702-27712, 2018Tradução . . Disponível em: https://doi.org/10.1021/acs.jpcc.8b08299. Acesso em: 30 abr. 2024.
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      Zibordi-Besse, L., Seminovski, Y., Rosalino, I., Guedes Sobrinho, D., & Silva, J. L. F. da. (2018). Physical and Chemical Properties of Unsupported (MO2)n Clusters for M = Ti, Zr, or Ce and n = 1–15:: A Density Functional Theory Study Combined with the Tree-Growth Scheme and Euclidean Similarity Distance Algorithm. Journal of Physical Chemistry C, 122, 27702-27712. doi:10.1021/acs.jpcc.8b08299
    • NLM

      Zibordi-Besse L, Seminovski Y, Rosalino I, Guedes Sobrinho D, Silva JLF da. Physical and Chemical Properties of Unsupported (MO2)n Clusters for M = Ti, Zr, or Ce and n = 1–15:: A Density Functional Theory Study Combined with the Tree-Growth Scheme and Euclidean Similarity Distance Algorithm [Internet]. Journal of Physical Chemistry C. 2018 ; 122 27702-27712.[citado 2024 abr. 30 ] Available from: https://doi.org/10.1021/acs.jpcc.8b08299
    • Vancouver

      Zibordi-Besse L, Seminovski Y, Rosalino I, Guedes Sobrinho D, Silva JLF da. Physical and Chemical Properties of Unsupported (MO2)n Clusters for M = Ti, Zr, or Ce and n = 1–15:: A Density Functional Theory Study Combined with the Tree-Growth Scheme and Euclidean Similarity Distance Algorithm [Internet]. Journal of Physical Chemistry C. 2018 ; 122 27702-27712.[citado 2024 abr. 30 ] Available from: https://doi.org/10.1021/acs.jpcc.8b08299
  • Source: Journal of Chemical Physics. Unidade: IQSC

    Subjects: MAGNETISMO, FÍSICO-QUÍMICA

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      MUCELINI, Johnatan et al. Ab initio investigation of the formation of ZrO2-like structures upon the adsorption of Zrn on the CeO2(111) surface. Journal of Chemical Physics, v. 149, p. 244702-244710, 2018Tradução . . Disponível em: https://aip.scitation.org/doi/10.1063/1.5063732. Acesso em: 30 abr. 2024.
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      Mucelini, J., Amaral, R. C., Seminovski, Y., & Silva, J. L. F. da. (2018). Ab initio investigation of the formation of ZrO2-like structures upon the adsorption of Zrn on the CeO2(111) surface. Journal of Chemical Physics, 149, 244702-244710. doi:10.1063/1.5063732
    • NLM

      Mucelini J, Amaral RC, Seminovski Y, Silva JLF da. Ab initio investigation of the formation of ZrO2-like structures upon the adsorption of Zrn on the CeO2(111) surface [Internet]. Journal of Chemical Physics. 2018 ;149 244702-244710.[citado 2024 abr. 30 ] Available from: https://aip.scitation.org/doi/10.1063/1.5063732
    • Vancouver

      Mucelini J, Amaral RC, Seminovski Y, Silva JLF da. Ab initio investigation of the formation of ZrO2-like structures upon the adsorption of Zrn on the CeO2(111) surface [Internet]. Journal of Chemical Physics. 2018 ;149 244702-244710.[citado 2024 abr. 30 ] Available from: https://aip.scitation.org/doi/10.1063/1.5063732
  • Source: RSC Advances. Unidade: IQSC

    Assunto: ADSORÇÃO

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    • ABNT

      TERESHCHUK, Polina et al. Glycerol adsorption on a defected Pt/Pt(100) substrate: a density functional theory investigation within the D3 van der Waals correction. RSC Advances, v. 7, 2017Tradução . . Disponível em: https://doi.org/10.1039/c7ra00976c. Acesso em: 30 abr. 2024.
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      Tereshchuk, P., Amaral, R. C., Seminovski, Y., & Silva, J. L. F. da. (2017). Glycerol adsorption on a defected Pt/Pt(100) substrate: a density functional theory investigation within the D3 van der Waals correction. RSC Advances, 7. doi:10.1039/c7ra00976c
    • NLM

      Tereshchuk P, Amaral RC, Seminovski Y, Silva JLF da. Glycerol adsorption on a defected Pt/Pt(100) substrate: a density functional theory investigation within the D3 van der Waals correction [Internet]. RSC Advances. 2017 ; 7[citado 2024 abr. 30 ] Available from: https://doi.org/10.1039/c7ra00976c
    • Vancouver

      Tereshchuk P, Amaral RC, Seminovski Y, Silva JLF da. Glycerol adsorption on a defected Pt/Pt(100) substrate: a density functional theory investigation within the D3 van der Waals correction [Internet]. RSC Advances. 2017 ; 7[citado 2024 abr. 30 ] Available from: https://doi.org/10.1039/c7ra00976c
  • Source: Journal of Physical Chemistry C. Unidade: IQSC

    Assunto: ADSORÇÃO

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      AMARAL, Rafael C et al. The role of low-coordination sites on the adsorption of glycerol on defected Ptn/Pt(111) substrates: a density functional investigation within the D3 van der Waals correction. Journal of Physical Chemistry C, v. 121, n. 6, p. 3445-3454, 2017Tradução . . Disponível em: https://doi.org/10.1021/acs.jpcc.6b12238. Acesso em: 30 abr. 2024.
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      Amaral, R. C., Tereshchuk, P., Seminovski, Y., & Silva, J. L. F. da. (2017). The role of low-coordination sites on the adsorption of glycerol on defected Ptn/Pt(111) substrates: a density functional investigation within the D3 van der Waals correction. Journal of Physical Chemistry C, 121( 6), 3445-3454. doi:10.1021/acs.jpcc.6b12238
    • NLM

      Amaral RC, Tereshchuk P, Seminovski Y, Silva JLF da. The role of low-coordination sites on the adsorption of glycerol on defected Ptn/Pt(111) substrates: a density functional investigation within the D3 van der Waals correction [Internet]. Journal of Physical Chemistry C. 2017 ; 121( 6): 3445-3454.[citado 2024 abr. 30 ] Available from: https://doi.org/10.1021/acs.jpcc.6b12238
    • Vancouver

      Amaral RC, Tereshchuk P, Seminovski Y, Silva JLF da. The role of low-coordination sites on the adsorption of glycerol on defected Ptn/Pt(111) substrates: a density functional investigation within the D3 van der Waals correction [Internet]. Journal of Physical Chemistry C. 2017 ; 121( 6): 3445-3454.[citado 2024 abr. 30 ] Available from: https://doi.org/10.1021/acs.jpcc.6b12238
  • Source: Journal of Chemical Physics. Unidade: IQSC

    Assunto: TEORIA QUÂNTICA RELATIVÍSTICA

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      SEMINOVSKI, Yohanna et al. The role of the cationic Pt sites in the adsorption properties of water and ethanol on the Pt4/Pt(111) and Pt4/CeO2(111) substrates: a density functional theory investigation. Journal of Chemical Physics, v. 145, p. 124709-1-10, 2016Tradução . . Disponível em: https://doi.org/10.1063/1.4963162. Acesso em: 30 abr. 2024.
    • APA

      Seminovski, Y., Tereshchuk, P., kiejna, A., & Silva, J. L. F. da. (2016). The role of the cationic Pt sites in the adsorption properties of water and ethanol on the Pt4/Pt(111) and Pt4/CeO2(111) substrates: a density functional theory investigation. Journal of Chemical Physics, 145, 124709-1-10. doi:10.1063/1.4963162
    • NLM

      Seminovski Y, Tereshchuk P, kiejna A, Silva JLF da. The role of the cationic Pt sites in the adsorption properties of water and ethanol on the Pt4/Pt(111) and Pt4/CeO2(111) substrates: a density functional theory investigation [Internet]. Journal of Chemical Physics. 2016 ; 145 124709-1-10.[citado 2024 abr. 30 ] Available from: https://doi.org/10.1063/1.4963162
    • Vancouver

      Seminovski Y, Tereshchuk P, kiejna A, Silva JLF da. The role of the cationic Pt sites in the adsorption properties of water and ethanol on the Pt4/Pt(111) and Pt4/CeO2(111) substrates: a density functional theory investigation [Internet]. Journal of Chemical Physics. 2016 ; 145 124709-1-10.[citado 2024 abr. 30 ] Available from: https://doi.org/10.1063/1.4963162
  • Source: Anais. Conference titles: Workshop Pós Doutorado IQSC. Unidade: IQSC

    Subjects: QUÍMICA ANALÍTICA, ETANOL

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      SEMINOVSKI, Yohanna et al. Density Functional Theory for the description of Water and Ethanol Supported on Pt4/Pt(111) and Pt4/CeO2(111) Substrates. 2016, Anais.. São Carlos: Comissão de Pesquisa/IQSC, 2016. Disponível em: https://repositorio.usp.br/directbitstream/798ccc35-6b12-4526-8a85-d702220fbf7e/P16636.pdf. Acesso em: 30 abr. 2024.
    • APA

      Seminovski, Y., Tereshchuk, P., kiejna, A., & Silva, J. L. F. da. (2016). Density Functional Theory for the description of Water and Ethanol Supported on Pt4/Pt(111) and Pt4/CeO2(111) Substrates. In Anais. São Carlos: Comissão de Pesquisa/IQSC. Recuperado de https://repositorio.usp.br/directbitstream/798ccc35-6b12-4526-8a85-d702220fbf7e/P16636.pdf
    • NLM

      Seminovski Y, Tereshchuk P, kiejna A, Silva JLF da. Density Functional Theory for the description of Water and Ethanol Supported on Pt4/Pt(111) and Pt4/CeO2(111) Substrates [Internet]. Anais. 2016 ;[citado 2024 abr. 30 ] Available from: https://repositorio.usp.br/directbitstream/798ccc35-6b12-4526-8a85-d702220fbf7e/P16636.pdf
    • Vancouver

      Seminovski Y, Tereshchuk P, kiejna A, Silva JLF da. Density Functional Theory for the description of Water and Ethanol Supported on Pt4/Pt(111) and Pt4/CeO2(111) Substrates [Internet]. Anais. 2016 ;[citado 2024 abr. 30 ] Available from: https://repositorio.usp.br/directbitstream/798ccc35-6b12-4526-8a85-d702220fbf7e/P16636.pdf
  • Source: Resumos. Conference titles: Brazilian-German Workshop on Applied Surface Science. Unidade: IQSC

    Subjects: ÁGUA, ETANOL

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      SEMINOVSKI, Yohanna et al. The role of the cationic Pt sites in the adsorption properties of water and ethanol on the Pt4/Pt(111) and Pt4?CeO2)111) substrates: a density functional theory investigation. 2016, Anais.. Maresias: SBPMat, 2016. Disponível em: https://repositorio.usp.br/directbitstream/37fa2c3d-6bfe-49a6-be1d-09c9c4aa408b/P16360.pdf. Acesso em: 30 abr. 2024.
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      Seminovski, Y., Tereshchuk, P., Kiejna, A., & Silva, J. L. F. da. (2016). The role of the cationic Pt sites in the adsorption properties of water and ethanol on the Pt4/Pt(111) and Pt4?CeO2)111) substrates: a density functional theory investigation. In Resumos. Maresias: SBPMat. Recuperado de https://repositorio.usp.br/directbitstream/37fa2c3d-6bfe-49a6-be1d-09c9c4aa408b/P16360.pdf
    • NLM

      Seminovski Y, Tereshchuk P, Kiejna A, Silva JLF da. The role of the cationic Pt sites in the adsorption properties of water and ethanol on the Pt4/Pt(111) and Pt4?CeO2)111) substrates: a density functional theory investigation [Internet]. Resumos. 2016 ;[citado 2024 abr. 30 ] Available from: https://repositorio.usp.br/directbitstream/37fa2c3d-6bfe-49a6-be1d-09c9c4aa408b/P16360.pdf
    • Vancouver

      Seminovski Y, Tereshchuk P, Kiejna A, Silva JLF da. The role of the cationic Pt sites in the adsorption properties of water and ethanol on the Pt4/Pt(111) and Pt4?CeO2)111) substrates: a density functional theory investigation [Internet]. Resumos. 2016 ;[citado 2024 abr. 30 ] Available from: https://repositorio.usp.br/directbitstream/37fa2c3d-6bfe-49a6-be1d-09c9c4aa408b/P16360.pdf
  • Source: Physical Chemistry Chemical Physics. Unidade: IQSC

    Assunto: SEMICONDUTORES

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      TERESHCHUK, Polina et al. The role of charge transfer in the oxidation state change of Ce atoms inthe TM13-CeO2(111) systems (TM=Pd, Ag, Pt, Au): a DFT + U investigations. Physical Chemistry Chemical Physics, v. 17, n. 20, p. 13520-13530, 2015Tradução . . Disponível em: https://doi.org/10.1016/j.commatsci.2014.11.022. Acesso em: 30 abr. 2024.
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      Tereshchuk, P., Freire, R. L. H., Ungureanu, C. G., Seminovski, Y., kiejna, A., & Silva, J. L. F. da. (2015). The role of charge transfer in the oxidation state change of Ce atoms inthe TM13-CeO2(111) systems (TM=Pd, Ag, Pt, Au): a DFT + U investigations. Physical Chemistry Chemical Physics, 17( 20), 13520-13530. doi:10.1016/j.commatsci.2014.11.022
    • NLM

      Tereshchuk P, Freire RLH, Ungureanu CG, Seminovski Y, kiejna A, Silva JLF da. The role of charge transfer in the oxidation state change of Ce atoms inthe TM13-CeO2(111) systems (TM=Pd, Ag, Pt, Au): a DFT + U investigations [Internet]. Physical Chemistry Chemical Physics. 2015 ; 17( 20): 13520-13530.[citado 2024 abr. 30 ] Available from: https://doi.org/10.1016/j.commatsci.2014.11.022
    • Vancouver

      Tereshchuk P, Freire RLH, Ungureanu CG, Seminovski Y, kiejna A, Silva JLF da. The role of charge transfer in the oxidation state change of Ce atoms inthe TM13-CeO2(111) systems (TM=Pd, Ag, Pt, Au): a DFT + U investigations [Internet]. Physical Chemistry Chemical Physics. 2015 ; 17( 20): 13520-13530.[citado 2024 abr. 30 ] Available from: https://doi.org/10.1016/j.commatsci.2014.11.022
  • Source: Livro de resumos. Conference titles: Workshop Pós Doutorado IQSC. Unidade: IQSC

    Assunto: ELETROQUÍMICA

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      SEMINOVSKI, Yohanna et al. Water adsorption on Pt(111), Pt4/Pt(111), CeO2(111) and pt4/CeO2(111) substrates. 2015, Anais.. São Carlos: Instituto de Química de São Carlos, Universidade de São Paulo, 2015. Disponível em: https://repositorio.usp.br/directbitstream/b48911d9-678e-416b-96a4-c50183168ac8/P15647.pdf. Acesso em: 30 abr. 2024.
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      Seminovski, Y., Tereshchuk, P., Keijna, A., & Silva, J. L. F. da. (2015). Water adsorption on Pt(111), Pt4/Pt(111), CeO2(111) and pt4/CeO2(111) substrates. In Livro de resumos. São Carlos: Instituto de Química de São Carlos, Universidade de São Paulo. Recuperado de https://repositorio.usp.br/directbitstream/b48911d9-678e-416b-96a4-c50183168ac8/P15647.pdf
    • NLM

      Seminovski Y, Tereshchuk P, Keijna A, Silva JLF da. Water adsorption on Pt(111), Pt4/Pt(111), CeO2(111) and pt4/CeO2(111) substrates [Internet]. Livro de resumos. 2015 ;[citado 2024 abr. 30 ] Available from: https://repositorio.usp.br/directbitstream/b48911d9-678e-416b-96a4-c50183168ac8/P15647.pdf
    • Vancouver

      Seminovski Y, Tereshchuk P, Keijna A, Silva JLF da. Water adsorption on Pt(111), Pt4/Pt(111), CeO2(111) and pt4/CeO2(111) substrates [Internet]. Livro de resumos. 2015 ;[citado 2024 abr. 30 ] Available from: https://repositorio.usp.br/directbitstream/b48911d9-678e-416b-96a4-c50183168ac8/P15647.pdf
  • Source: Resumos. Conference titles: Reunião Anual da Sociedade Brasileira de Química - SBQ. Unidade: IQSC

    Assunto: QUÍMICA QUÂNTICA

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      TERESHCHUK, Polina et al. Transition-metal clusters supported on the CeO2(111) Surface: a density functional theory investigation. 2015, Anais.. São Paulo: Instituto de Química de São Carlos, Universidade de São Paulo, 2015. Disponível em: http://www.adaltech.com.br/testes/sbq2015/resumos/T0402-1.pdf. Acesso em: 30 abr. 2024.
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      Tereshchuk, P., Seminovski, Y., Freire, R. L. H., Piotrowski,, Kiejna, A., & Silva, J. L. F. da. (2015). Transition-metal clusters supported on the CeO2(111) Surface: a density functional theory investigation. In Resumos. São Paulo: Instituto de Química de São Carlos, Universidade de São Paulo. Recuperado de http://www.adaltech.com.br/testes/sbq2015/resumos/T0402-1.pdf
    • NLM

      Tereshchuk P, Seminovski Y, Freire RLH, Piotrowski, Kiejna A, Silva JLF da. Transition-metal clusters supported on the CeO2(111) Surface: a density functional theory investigation [Internet]. Resumos. 2015 ;[citado 2024 abr. 30 ] Available from: http://www.adaltech.com.br/testes/sbq2015/resumos/T0402-1.pdf
    • Vancouver

      Tereshchuk P, Seminovski Y, Freire RLH, Piotrowski, Kiejna A, Silva JLF da. Transition-metal clusters supported on the CeO2(111) Surface: a density functional theory investigation [Internet]. Resumos. 2015 ;[citado 2024 abr. 30 ] Available from: http://www.adaltech.com.br/testes/sbq2015/resumos/T0402-1.pdf

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