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  • Source: Physical Chemistry Chemical Physics. Unidade: IQSC

    Subjects: FÍSICO-QUÍMICA, QUÍMICA INORGÂNICA

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      STEFFLER, Fernando e HAIDUKE, Roberto Luiz Andrade. Successive protonation of Lindqvist hexaniobate, [Nb6O19] 8: electronic properties and structural distortions. Physical Chemistry Chemical Physics, v. 24, p. 13083-13093, 2022Tradução . . Disponível em: https://doi.org/10.1039/d2cp00607c. Acesso em: 30 nov. 2022.
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      Steffler, F., & Haiduke, R. L. A. (2022). Successive protonation of Lindqvist hexaniobate, [Nb6O19] 8: electronic properties and structural distortions. Physical Chemistry Chemical Physics, 24, 13083-13093. doi:10.1039/d2cp00607c
    • NLM

      Steffler F, Haiduke RLA. Successive protonation of Lindqvist hexaniobate, [Nb6O19] 8: electronic properties and structural distortions [Internet]. Physical Chemistry Chemical Physics. 2022 ; 24 13083-13093.[citado 2022 nov. 30 ] Available from: https://doi.org/10.1039/d2cp00607c
    • Vancouver

      Steffler F, Haiduke RLA. Successive protonation of Lindqvist hexaniobate, [Nb6O19] 8: electronic properties and structural distortions [Internet]. Physical Chemistry Chemical Physics. 2022 ; 24 13083-13093.[citado 2022 nov. 30 ] Available from: https://doi.org/10.1039/d2cp00607c
  • Source: Physical Chemistry Chemical Physics. Unidade: IQSC

    Subjects: ELETROQUÍMICA, QUÍMICA AMBIENTAL, POLUIÇÃO AMBIENTAL

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      GROMBONI, Murilo Fernando et al. One-step preparation of Co2V2O7: synthesis and application as Fenton-like catalyst in gas diffusion electrode. Physical Chemistry Chemical Physics, v. 24, p. 10249, 2022Tradução . . Disponível em: https://doi.org/10.1039/D2CP00072E. Acesso em: 30 nov. 2022.
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      Gromboni, M. F., Cordeiro Junior, P. J. M., Corradini, P. G., Mascaro, L. H., & Lanza, M. R. de V. (2022). One-step preparation of Co2V2O7: synthesis and application as Fenton-like catalyst in gas diffusion electrode. Physical Chemistry Chemical Physics, 24, 10249. doi:10.1039/D2CP00072E
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      Gromboni MF, Cordeiro Junior PJM, Corradini PG, Mascaro LH, Lanza MR de V. One-step preparation of Co2V2O7: synthesis and application as Fenton-like catalyst in gas diffusion electrode [Internet]. Physical Chemistry Chemical Physics. 2022 ; 24 10249.[citado 2022 nov. 30 ] Available from: https://doi.org/10.1039/D2CP00072E
    • Vancouver

      Gromboni MF, Cordeiro Junior PJM, Corradini PG, Mascaro LH, Lanza MR de V. One-step preparation of Co2V2O7: synthesis and application as Fenton-like catalyst in gas diffusion electrode [Internet]. Physical Chemistry Chemical Physics. 2022 ; 24 10249.[citado 2022 nov. 30 ] Available from: https://doi.org/10.1039/D2CP00072E
  • Source: Physical Chemistry Chemical Physics. Unidade: IQSC

    Subjects: ADSORÇÃO, MOLÉCULA, COMPUTAÇÃO APLICADA

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      BARTAQUIM, Eduardo O et al. Computational investigation of van der Waals corrections in the adsorption properties of molecules on the Cu(111) surface. Physical Chemistry Chemical Physics, v. 24, p. 20294, 2022Tradução . . Disponível em: https://doi.org/10.1039/d2cp02663e. Acesso em: 30 nov. 2022.
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      Bartaquim, E. O., Bezerra, R. C., Bittencourt, A. F. B., & Silva, J. L. F. da. (2022). Computational investigation of van der Waals corrections in the adsorption properties of molecules on the Cu(111) surface. Physical Chemistry Chemical Physics, 24, 20294. doi:10.1039/d2cp02663e
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      Bartaquim EO, Bezerra RC, Bittencourt AFB, Silva JLF da. Computational investigation of van der Waals corrections in the adsorption properties of molecules on the Cu(111) surface [Internet]. Physical Chemistry Chemical Physics. 2022 ; 24 20294.[citado 2022 nov. 30 ] Available from: https://doi.org/10.1039/d2cp02663e
    • Vancouver

      Bartaquim EO, Bezerra RC, Bittencourt AFB, Silva JLF da. Computational investigation of van der Waals corrections in the adsorption properties of molecules on the Cu(111) surface [Internet]. Physical Chemistry Chemical Physics. 2022 ; 24 20294.[citado 2022 nov. 30 ] Available from: https://doi.org/10.1039/d2cp02663e
  • Source: Physical Chemistry Chemical Physics. Unidade: IQSC

    Subjects: ADSORÇÃO, QUÍMICA TEÓRICA

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      SOUSA, Priscilla Felício e ANDRIANI, Karla Furtado e SILVA, Juarez Lopes Ferreira da. Ab initio investigation of the role of the d-states occupation on the adsorption properties of H2, CO, CH4 and CH3OH on the Fe13, Co13, Ni13 and Cu13 clusters. Physical Chemistry Chemical Physics, v. 23, p. 8739–8751, 2021Tradução . . Disponível em: https://doi.org/10.1039/D0CP06091G. Acesso em: 30 nov. 2022.
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      Sousa, P. F., Andriani, K. F., & Silva, J. L. F. da. (2021). Ab initio investigation of the role of the d-states occupation on the adsorption properties of H2, CO, CH4 and CH3OH on the Fe13, Co13, Ni13 and Cu13 clusters. Physical Chemistry Chemical Physics, 23, 8739–8751. doi:10.1039/ d0cp06091g
    • NLM

      Sousa PF, Andriani KF, Silva JLF da. Ab initio investigation of the role of the d-states occupation on the adsorption properties of H2, CO, CH4 and CH3OH on the Fe13, Co13, Ni13 and Cu13 clusters [Internet]. Physical Chemistry Chemical Physics. 2021 ; 23 8739–8751.[citado 2022 nov. 30 ] Available from: https://doi.org/10.1039/D0CP06091G
    • Vancouver

      Sousa PF, Andriani KF, Silva JLF da. Ab initio investigation of the role of the d-states occupation on the adsorption properties of H2, CO, CH4 and CH3OH on the Fe13, Co13, Ni13 and Cu13 clusters [Internet]. Physical Chemistry Chemical Physics. 2021 ; 23 8739–8751.[citado 2022 nov. 30 ] Available from: https://doi.org/10.1039/D0CP06091G
  • Source: Physical Chemistry Chemical Physics. Unidade: IQSC

    Subjects: METANOL, ETANOL, METAIS

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      BEZERRA, Raquel C. et al. Role of the OH-group in the adsorption properties of methanol, ethanol, and ethylene glycol on 15-atom 3d, 4d, and 5d transition-metal clusters. Physical Chemistry Chemical Physics, v. 23, p. 17553-17566, 2021Tradução . . Disponível em: https://doi.org/10.1039/d1cp01806j. Acesso em: 30 nov. 2022.
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      Bezerra, R. C., Mendonça, J. P. A. de, Mendes, P. de C. D., Raimundo R. Passos,, & Silva, J. L. F. da. (2021). Role of the OH-group in the adsorption properties of methanol, ethanol, and ethylene glycol on 15-atom 3d, 4d, and 5d transition-metal clusters. Physical Chemistry Chemical Physics, 23, 17553-17566. doi:10.1039/d1cp01806j
    • NLM

      Bezerra RC, Mendonça JPA de, Mendes P de CD, Raimundo R. Passos, Silva JLF da. Role of the OH-group in the adsorption properties of methanol, ethanol, and ethylene glycol on 15-atom 3d, 4d, and 5d transition-metal clusters [Internet]. Physical Chemistry Chemical Physics. 2021 ; 23 17553-17566.[citado 2022 nov. 30 ] Available from: https://doi.org/10.1039/d1cp01806j
    • Vancouver

      Bezerra RC, Mendonça JPA de, Mendes P de CD, Raimundo R. Passos, Silva JLF da. Role of the OH-group in the adsorption properties of methanol, ethanol, and ethylene glycol on 15-atom 3d, 4d, and 5d transition-metal clusters [Internet]. Physical Chemistry Chemical Physics. 2021 ; 23 17553-17566.[citado 2022 nov. 30 ] Available from: https://doi.org/10.1039/d1cp01806j
  • Source: Physical Chemistry Chemical Physics. Unidade: IQSC

    Subjects: SÓDIO, CLORO

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      GUIMARAES, Amanda Ribeiro et al. Generation, contraction, and polarisation of Gaussian basis sets for atomic and molecular calculations using the generator coordinate method with polynomial discretisation: atoms from Na through Cl. Physical Chemistry Chemical Physics, v. 23, 2021Tradução . . Disponível em: https://doi.org/10.1039/d1cp01879e. Acesso em: 30 nov. 2022.
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      Guimaraes, A. R., Barbosa, R. C., Tello, A. C. M., Silva, A. P. da, Alves, J. M. A., Maringolo, M. P., & Silva, A. B. F. da. (2021). Generation, contraction, and polarisation of Gaussian basis sets for atomic and molecular calculations using the generator coordinate method with polynomial discretisation: atoms from Na through Cl. Physical Chemistry Chemical Physics, 23. doi:10.1039/d1cp01879e
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      Guimaraes AR, Barbosa RC, Tello ACM, Silva AP da, Alves JMA, Maringolo MP, Silva ABF da. Generation, contraction, and polarisation of Gaussian basis sets for atomic and molecular calculations using the generator coordinate method with polynomial discretisation: atoms from Na through Cl [Internet]. Physical Chemistry Chemical Physics. 2021 ; 23[citado 2022 nov. 30 ] Available from: https://doi.org/10.1039/d1cp01879e
    • Vancouver

      Guimaraes AR, Barbosa RC, Tello ACM, Silva AP da, Alves JMA, Maringolo MP, Silva ABF da. Generation, contraction, and polarisation of Gaussian basis sets for atomic and molecular calculations using the generator coordinate method with polynomial discretisation: atoms from Na through Cl [Internet]. Physical Chemistry Chemical Physics. 2021 ; 23[citado 2022 nov. 30 ] Available from: https://doi.org/10.1039/d1cp01879e
  • Source: Physical Chemistry Chemical Physics. Unidades: IQSC, IFSC

    Subjects: PROPRIEDADES DOS MATERIAIS, CÉLULAS SOLARES

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      OZÓRIO, Mailde da Silva et al. The role of the A-cations in the polymorphic stability and optoelectronic properties of lead-free ASnI3 perovskites. Physical Chemistry Chemical Physics, v. 23, n. 3, p. 2286-2297, 2021Tradução . . Disponível em: https://doi.org/10.1039/D0CP06090A. Acesso em: 30 nov. 2022.
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      Ozório, M. da S., Malladi, S., Besse, R., & Silva, J. L. F. da. (2021). The role of the A-cations in the polymorphic stability and optoelectronic properties of lead-free ASnI3 perovskites. Physical Chemistry Chemical Physics, 23( 3), 2286-2297. doi:10.1039/D0CP06090A
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      Ozório M da S, Malladi S, Besse R, Silva JLF da. The role of the A-cations in the polymorphic stability and optoelectronic properties of lead-free ASnI3 perovskites [Internet]. Physical Chemistry Chemical Physics. 2021 ; 23( 3): 2286-2297.[citado 2022 nov. 30 ] Available from: https://doi.org/10.1039/D0CP06090A
    • Vancouver

      Ozório M da S, Malladi S, Besse R, Silva JLF da. The role of the A-cations in the polymorphic stability and optoelectronic properties of lead-free ASnI3 perovskites [Internet]. Physical Chemistry Chemical Physics. 2021 ; 23( 3): 2286-2297.[citado 2022 nov. 30 ] Available from: https://doi.org/10.1039/D0CP06090A
  • 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: 30 nov. 2022.
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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 2022 nov. 30 ] Available from: https://doi.org/10.1039/d1cp00570g
    • Vancouver

      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 2022 nov. 30 ] Available from: https://doi.org/10.1039/d1cp00570g
  • Source: Physical Chemistry Chemical Physics. Unidade: IQSC

    Subjects: QUÍMICA MÉDICA, CINÉTICA QUÍMICA, FÁRMACOS, NEOPLASIAS

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      LAMEIRA, Jerônimo et al. Predicting the affinity of halogenated reversible covalent inhibitors through relative binding free energy. Physical Chemistry Chemical Physics, v. 21, p. 24723-24730, 2019Tradução . . Disponível em: https://doi-org.ez67.periodicos.capes.gov.br/10.1039/C9CP04820K. Acesso em: 30 nov. 2022.
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      Lameira, J., Bonatto, V., Cianni, L., Rocho, F. dos R., Leitão, A., & Montanari, C. A. (2019). Predicting the affinity of halogenated reversible covalent inhibitors through relative binding free energy. Physical Chemistry Chemical Physics, 21, 24723-24730. doi:10.1039/c9cp04820k
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      Lameira J, Bonatto V, Cianni L, Rocho F dos R, Leitão A, Montanari CA. Predicting the affinity of halogenated reversible covalent inhibitors through relative binding free energy [Internet]. Physical Chemistry Chemical Physics. 2019 ; 21 24723-24730.[citado 2022 nov. 30 ] Available from: https://doi-org.ez67.periodicos.capes.gov.br/10.1039/C9CP04820K
    • Vancouver

      Lameira J, Bonatto V, Cianni L, Rocho F dos R, Leitão A, Montanari CA. Predicting the affinity of halogenated reversible covalent inhibitors through relative binding free energy [Internet]. Physical Chemistry Chemical Physics. 2019 ; 21 24723-24730.[citado 2022 nov. 30 ] Available from: https://doi-org.ez67.periodicos.capes.gov.br/10.1039/C9CP04820K
  • Source: Physical Chemistry Chemical Physics. Unidade: IQSC

    Subject: ÁLCOOL

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      MENDES, Paulo C D et al. The Influence of Hydroxy Groups on the Adsorption of Three-Carbon Alcohols on Ni(111), Pd(111) and Pt(111) Surfaces:: A Density Functional Theory Study within the D3 Dispersion Correction. Physical Chemistry Chemical Physics, v. 21, p. 8434-8444, 2019Tradução . . Disponível em: https://doi-org.ez67.periodicos.capes.gov.br/10.1039/C9CP00752K. Acesso em: 30 nov. 2022.
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      Mendes, P. C. D., Amaral, R. C., Gomes, J. F., & Silva, J. L. F. da. (2019). The Influence of Hydroxy Groups on the Adsorption of Three-Carbon Alcohols on Ni(111), Pd(111) and Pt(111) Surfaces:: A Density Functional Theory Study within the D3 Dispersion Correction. Physical Chemistry Chemical Physics, 21, 8434-8444. doi:10.1039/C9CP00752K
    • NLM

      Mendes PCD, Amaral RC, Gomes JF, Silva JLF da. The Influence of Hydroxy Groups on the Adsorption of Three-Carbon Alcohols on Ni(111), Pd(111) and Pt(111) Surfaces:: A Density Functional Theory Study within the D3 Dispersion Correction [Internet]. Physical Chemistry Chemical Physics. 2019 ; 21 8434-8444.[citado 2022 nov. 30 ] Available from: https://doi-org.ez67.periodicos.capes.gov.br/10.1039/C9CP00752K
    • Vancouver

      Mendes PCD, Amaral RC, Gomes JF, Silva JLF da. The Influence of Hydroxy Groups on the Adsorption of Three-Carbon Alcohols on Ni(111), Pd(111) and Pt(111) Surfaces:: A Density Functional Theory Study within the D3 Dispersion Correction [Internet]. Physical Chemistry Chemical Physics. 2019 ; 21 8434-8444.[citado 2022 nov. 30 ] Available from: https://doi-org.ez67.periodicos.capes.gov.br/10.1039/C9CP00752K
  • 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: 30 nov. 2022.
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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 2022 nov. 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 2022 nov. 30 ] Available from: https://doi-org.ez67.periodicos.capes.gov.br/10.1039/C9CP04762J
  • Source: Physical Chemistry Chemical Physics. Unidades: IQSC, IFSC

    Subjects: FÍSICO-QUÍMICA, NANOPARTÍCULAS

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      SILVA, Augusto Cesar Huppes da et al. Edge, size, and shape effects on WS2, WSe2, and WTe2 nanoflake stability: design principles from an ab initio investigation. Physical Chemistry Chemical Physics, v. 21, p. 23076-23084, 2019Tradução . . Disponível em: https://doi.org/10.1039/C9CP03698A. Acesso em: 30 nov. 2022.
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      Silva, A. C. H. da, Caturello, N. A. M. S., Besse, R., Lima, M. P., & Silva, J. L. F. da. (2019). Edge, size, and shape effects on WS2, WSe2, and WTe2 nanoflake stability: design principles from an ab initio investigation. Physical Chemistry Chemical Physics, 21, 23076-23084. doi:10.1039/c9cp03698a
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      Silva ACH da, Caturello NAMS, Besse R, Lima MP, Silva JLF da. Edge, size, and shape effects on WS2, WSe2, and WTe2 nanoflake stability: design principles from an ab initio investigation [Internet]. Physical Chemistry Chemical Physics. 2019 ; 21 23076-23084.[citado 2022 nov. 30 ] Available from: https://doi.org/10.1039/C9CP03698A
    • Vancouver

      Silva ACH da, Caturello NAMS, Besse R, Lima MP, Silva JLF da. Edge, size, and shape effects on WS2, WSe2, and WTe2 nanoflake stability: design principles from an ab initio investigation [Internet]. Physical Chemistry Chemical Physics. 2019 ; 21 23076-23084.[citado 2022 nov. 30 ] Available from: https://doi.org/10.1039/C9CP03698A
  • Source: Physical Chemistry Chemical Physics. Unidade: IQSC

    Subjects: FÍSICO-QUÍMICA, MAGNETISMO

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      AMARAL, Rafael Costa e SILVA, Juarez Lopes Ferreira da. The adsorption of alcohols on strained Pt3Ni(111) substrates: a density functional investigation within the D3 van der Waals correction†. Physical Chemistry Chemical Physics, v. 20, p. 24210-24221, 2018Tradução . . Disponível em: http://www-rsc-org.ez67.periodicos.capes.gov.br/suppdata/c8/cp/c8cp02874e/c8cp02874e1.pdf. Acesso em: 30 nov. 2022.
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      Amaral, R. C., & Silva, J. L. F. da. (2018). The adsorption of alcohols on strained Pt3Ni(111) substrates: a density functional investigation within the D3 van der Waals correction†. Physical Chemistry Chemical Physics, 20, 24210-24221. doi:10.1039/c8cp03332c
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      Amaral RC, Silva JLF da. The adsorption of alcohols on strained Pt3Ni(111) substrates: a density functional investigation within the D3 van der Waals correction† [Internet]. Physical Chemistry Chemical Physics. 2018 ; 20 24210-24221.[citado 2022 nov. 30 ] Available from: http://www-rsc-org.ez67.periodicos.capes.gov.br/suppdata/c8/cp/c8cp02874e/c8cp02874e1.pdf
    • Vancouver

      Amaral RC, Silva JLF da. The adsorption of alcohols on strained Pt3Ni(111) substrates: a density functional investigation within the D3 van der Waals correction† [Internet]. Physical Chemistry Chemical Physics. 2018 ; 20 24210-24221.[citado 2022 nov. 30 ] Available from: http://www-rsc-org.ez67.periodicos.capes.gov.br/suppdata/c8/cp/c8cp02874e/c8cp02874e1.pdf
  • Source: Physical Chemistry Chemical Physics. Unidade: IQSC

    Subject: FÍSICO-QUÍMICA

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      PREVIDELLO, Bruno Alarcon Fernandes et al. Probing the surface fine structure through electrochemical oscillations. Physical Chemistry Chemical Physics, n. 8, p. 5674-5682, 2018Tradução . . Disponível em: http://dx.doi.org/10.1039/C7CP08028J. Acesso em: 30 nov. 2022.
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      Previdello, B. A. F., Fernández, P. S., Tremiliosi Filho, G., & Varela, H. (2018). Probing the surface fine structure through electrochemical oscillations. Physical Chemistry Chemical Physics, ( 8), 5674-5682. doi:10.1039/C7CP08028J
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      Previdello BAF, Fernández PS, Tremiliosi Filho G, Varela H. Probing the surface fine structure through electrochemical oscillations [Internet]. Physical Chemistry Chemical Physics. 2018 ;( 8): 5674-5682.[citado 2022 nov. 30 ] Available from: http://dx.doi.org/10.1039/C7CP08028J
    • Vancouver

      Previdello BAF, Fernández PS, Tremiliosi Filho G, Varela H. Probing the surface fine structure through electrochemical oscillations [Internet]. Physical Chemistry Chemical Physics. 2018 ;( 8): 5674-5682.[citado 2022 nov. 30 ] Available from: http://dx.doi.org/10.1039/C7CP08028J
  • Source: Physical Chemistry Chemical Physics. Unidade: IQSC

    Subjects: DOENÇA DE CHAGAS, QUÍMICA MÉDICA

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      SANTOS, Alberto Monteiro dos et al. Experimental study and computational modelling of cruzain cysteine protease inhibition by dipeptidyl nitriles. Physical Chemistry Chemical Physics, v. 20, n. 37, p. 24317-24328, 2018Tradução . . Disponível em: http://pubs-rsc-org.ez67.periodicos.capes.gov.br/en/content/articlepdf/2018/cp/c8cp03320j?page=search. Acesso em: 30 nov. 2022.
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      Santos, A. M. dos, Cianni, L., De Vita, D., Rosini, F., Leitão, A., Laughton, C. A., et al. (2018). Experimental study and computational modelling of cruzain cysteine protease inhibition by dipeptidyl nitriles. Physical Chemistry Chemical Physics, 20( 37), 24317-24328. doi:10.1039/C8CP03320J
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      Santos AM dos, Cianni L, De Vita D, Rosini F, Leitão A, Laughton CA, Lameira J, Montanari CA. Experimental study and computational modelling of cruzain cysteine protease inhibition by dipeptidyl nitriles [Internet]. Physical Chemistry Chemical Physics. 2018 ;20( 37): 24317-24328.[citado 2022 nov. 30 ] Available from: http://pubs-rsc-org.ez67.periodicos.capes.gov.br/en/content/articlepdf/2018/cp/c8cp03320j?page=search
    • Vancouver

      Santos AM dos, Cianni L, De Vita D, Rosini F, Leitão A, Laughton CA, Lameira J, Montanari CA. Experimental study and computational modelling of cruzain cysteine protease inhibition by dipeptidyl nitriles [Internet]. Physical Chemistry Chemical Physics. 2018 ;20( 37): 24317-24328.[citado 2022 nov. 30 ] Available from: http://pubs-rsc-org.ez67.periodicos.capes.gov.br/en/content/articlepdf/2018/cp/c8cp03320j?page=search
  • Source: Physical Chemistry Chemical Physics. Unidade: IQSC

    Subjects: FLUORESCÊNCIA, SILÍCIO

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      LINO, Aline Monteiro e GEHLEN, Marcelo Henrique. Styryl dye formation promoted by catalytic centers of piperazine bound to a silica surface traced by single molecule fluorescence microscopy. Physical Chemistry Chemical Physics, v. 19, p. 20984-20990, 2017Tradução . . Disponível em: http://dx.doi.org/10.1039/C7CP03437G. Acesso em: 30 nov. 2022.
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      Lino, A. M., & Gehlen, M. H. (2017). Styryl dye formation promoted by catalytic centers of piperazine bound to a silica surface traced by single molecule fluorescence microscopy. Physical Chemistry Chemical Physics, 19, 20984-20990. doi:10.1039/C7CP03437G
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      Lino AM, Gehlen MH. Styryl dye formation promoted by catalytic centers of piperazine bound to a silica surface traced by single molecule fluorescence microscopy [Internet]. Physical Chemistry Chemical Physics. 2017 ; 19 20984-20990.[citado 2022 nov. 30 ] Available from: http://dx.doi.org/10.1039/C7CP03437G
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      Lino AM, Gehlen MH. Styryl dye formation promoted by catalytic centers of piperazine bound to a silica surface traced by single molecule fluorescence microscopy [Internet]. Physical Chemistry Chemical Physics. 2017 ; 19 20984-20990.[citado 2022 nov. 30 ] Available from: http://dx.doi.org/10.1039/C7CP03437G
  • Source: Physical Chemistry Chemical Physics. Unidade: IQSC

    Subjects: QUÍMICA, ÁTOMOS

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      CHAVES, Anderson Silva e PIOTROWSKI, Maurício Jeomar e SILVA, Juarez Lopes Ferreira da. Evolution of the structural, energetic, and electronic properties of the 3d,4d, and 5d transition -metal clusters (30 TMn systems for n=2-15): density functional theory investigation. Physical Chemistry Chemical Physics, v. 19, n. 23, p. 15484-15502, 2017Tradução . . Disponível em: http://dx.doi.org/10.1039/c7cp02240a. Acesso em: 30 nov. 2022.
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      Chaves, A. S., Piotrowski, M. J., & Silva, J. L. F. da. (2017). Evolution of the structural, energetic, and electronic properties of the 3d,4d, and 5d transition -metal clusters (30 TMn systems for n=2-15): density functional theory investigation. Physical Chemistry Chemical Physics, 19( 23), 15484-15502. doi:10.1039/c7cp02240a
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      Chaves AS, Piotrowski MJ, Silva JLF da. Evolution of the structural, energetic, and electronic properties of the 3d,4d, and 5d transition -metal clusters (30 TMn systems for n=2-15): density functional theory investigation [Internet]. Physical Chemistry Chemical Physics. 2017 ; 19( 23): 15484-15502.[citado 2022 nov. 30 ] Available from: http://dx.doi.org/10.1039/c7cp02240a
    • Vancouver

      Chaves AS, Piotrowski MJ, Silva JLF da. Evolution of the structural, energetic, and electronic properties of the 3d,4d, and 5d transition -metal clusters (30 TMn systems for n=2-15): density functional theory investigation [Internet]. Physical Chemistry Chemical Physics. 2017 ; 19( 23): 15484-15502.[citado 2022 nov. 30 ] Available from: http://dx.doi.org/10.1039/c7cp02240a
  • Source: Physical Chemistry Chemical Physics. Unidade: IQSC

    Subjects: ELETRODO, ELETROQUÍMICA

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      FERNÁNDEZ, Pablo S et al. How do random superficial defects influence the electro-oxidation of glycerol on Pt(111) surfaces?. Physical Chemistry Chemical Physics, v. 18, p. 25582- , 2016Tradução . . Disponível em: http://dx.doi.org/10.1039/c6cp04768h. Acesso em: 30 nov. 2022.
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      Fernández, P. S., Tereshchuk, P., Angelucci, C. A., Gomes, J. F., Garcia, A. C., Martins, C. A., et al. (2016). How do random superficial defects influence the electro-oxidation of glycerol on Pt(111) surfaces? Physical Chemistry Chemical Physics, 18, 25582- . doi:10.1039/c6cp04768h
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      Fernández PS, Tereshchuk P, Angelucci CA, Gomes JF, Garcia AC, Martins CA, Câmara GA, Martins ME, Silva JLF da, Tremiliosi Filho G. How do random superficial defects influence the electro-oxidation of glycerol on Pt(111) surfaces? [Internet]. Physical Chemistry Chemical Physics. 2016 ; 18 25582- .[citado 2022 nov. 30 ] Available from: http://dx.doi.org/10.1039/c6cp04768h
    • Vancouver

      Fernández PS, Tereshchuk P, Angelucci CA, Gomes JF, Garcia AC, Martins CA, Câmara GA, Martins ME, Silva JLF da, Tremiliosi Filho G. How do random superficial defects influence the electro-oxidation of glycerol on Pt(111) surfaces? [Internet]. Physical Chemistry Chemical Physics. 2016 ; 18 25582- .[citado 2022 nov. 30 ] Available from: http://dx.doi.org/10.1039/c6cp04768h
  • Source: Physical Chemistry Chemical Physics. Unidade: IQSC

    Subjects: ELETROQUÍMICA, NANOPARTÍCULAS

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      SCHMIDT, Tobias et al. Investigating the electronic structure of a supported metal nanoparticle: Pd in SiCN. Physical Chemistry Chemical Physics, v. 18, p. 31966-31972, 2016Tradução . . Disponível em: http://dx.doi.org/10.1039/C6CP06520A. Acesso em: 30 nov. 2022.
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      Schmidt, T., Albuquerque, R. Q. de, Kempe, R., & Kümmel, S. (2016). Investigating the electronic structure of a supported metal nanoparticle: Pd in SiCN. Physical Chemistry Chemical Physics, 18, 31966-31972. doi:10.1039/C6CP06520A
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      Schmidt T, Albuquerque RQ de, Kempe R, Kümmel S. Investigating the electronic structure of a supported metal nanoparticle: Pd in SiCN [Internet]. Physical Chemistry Chemical Physics. 2016 ; 18 31966-31972.[citado 2022 nov. 30 ] Available from: http://dx.doi.org/10.1039/C6CP06520A
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      Schmidt T, Albuquerque RQ de, Kempe R, Kümmel S. Investigating the electronic structure of a supported metal nanoparticle: Pd in SiCN [Internet]. Physical Chemistry Chemical Physics. 2016 ; 18 31966-31972.[citado 2022 nov. 30 ] Available from: http://dx.doi.org/10.1039/C6CP06520A
  • Source: Physical Chemistry Chemical Physics. Unidade: IQSC

    Subject: CÉLULAS A COMBUSTÍVEL

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      FREIRE, Rafael Luiz Heleno e KIEJNA, Adam e SILVA, Juarez Lopes Ferreira da. Adsorption of water and ethanol on noble and transition-metal substrates: a density functional investigation within van der waals corrections. Physical Chemistry Chemical Physics, v. 18, n. 42 p. 29526-29536, 2016Tradução . . Disponível em: http://dx.doi.org/10.1039/c6cp05620b. Acesso em: 30 nov. 2022.
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      Freire, R. L. H., kiejna, A., & Silva, J. L. F. da. (2016). Adsorption of water and ethanol on noble and transition-metal substrates: a density functional investigation within van der waals corrections. Physical Chemistry Chemical Physics, 18( 42 p. 29526-29536). doi:10.1039/c6cp05620b
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      Freire RLH, kiejna A, Silva JLF da. Adsorption of water and ethanol on noble and transition-metal substrates: a density functional investigation within van der waals corrections [Internet]. Physical Chemistry Chemical Physics. 2016 ; 18( 42 p. 29526-29536):[citado 2022 nov. 30 ] Available from: http://dx.doi.org/10.1039/c6cp05620b
    • Vancouver

      Freire RLH, kiejna A, Silva JLF da. Adsorption of water and ethanol on noble and transition-metal substrates: a density functional investigation within van der waals corrections [Internet]. Physical Chemistry Chemical Physics. 2016 ; 18( 42 p. 29526-29536):[citado 2022 nov. 30 ] Available from: http://dx.doi.org/10.1039/c6cp05620b

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