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  • Source: Ionics. Unidade: IQSC

    Subjects: NANOCOMPOSITOS, METAIS

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      TRINDADE, Letícia G. da et al. Mesoporous ZrO2/C and ZnO/C nanocomposites derived from MOFs for SPEEK‑based proton exchange membrane. Ionics, 2024Tradução . . Disponível em: https://doi.org/10.1007/s11581-024-05730-y. Acesso em: 17 out. 2024.
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      Trindade, L. G. da, Zanchet, L., Souza, J. C., Roveda Junior, A. C., Paiva, R., Zanette, T., et al. (2024). Mesoporous ZrO2/C and ZnO/C nanocomposites derived from MOFs for SPEEK‑based proton exchange membrane. Ionics. doi:10.1007/s11581-024-05730-y
    • NLM

      Trindade LG da, Zanchet L, Souza JC, Roveda Junior AC, Paiva R, Zanette T, Gusmão KB, Martini EMA, Longo E, Ticianelli EA. Mesoporous ZrO2/C and ZnO/C nanocomposites derived from MOFs for SPEEK‑based proton exchange membrane [Internet]. Ionics. 2024 ;[citado 2024 out. 17 ] Available from: https://doi.org/10.1007/s11581-024-05730-y
    • Vancouver

      Trindade LG da, Zanchet L, Souza JC, Roveda Junior AC, Paiva R, Zanette T, Gusmão KB, Martini EMA, Longo E, Ticianelli EA. Mesoporous ZrO2/C and ZnO/C nanocomposites derived from MOFs for SPEEK‑based proton exchange membrane [Internet]. Ionics. 2024 ;[citado 2024 out. 17 ] Available from: https://doi.org/10.1007/s11581-024-05730-y
  • Source: Advances in Organometallic Chemistry. Unidade: IQSC

    Subjects: CATÁLISE, METAIS

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      HAYASHI, Marcio et al. Chapter Five- Reactions with sulfoxonium ylides using metal-catalysis. Advances in Organometallic Chemistry, v. 82, p. 227-286, 2024Tradução . . Disponível em: https://doi.org/10.1016/bs.adomc.2024.06.003. Acesso em: 17 out. 2024.
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      Hayashi, M., Câmara, V. S., Oliveira, C. S., & Burtoloso, A. C. B. (2024). Chapter Five- Reactions with sulfoxonium ylides using metal-catalysis. Advances in Organometallic Chemistry, 82, 227-286. doi:10.1016/bs.adomc.2024.06.003
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      Hayashi M, Câmara VS, Oliveira CS, Burtoloso ACB. Chapter Five- Reactions with sulfoxonium ylides using metal-catalysis [Internet]. Advances in Organometallic Chemistry. 2024 ;82 227-286.[citado 2024 out. 17 ] Available from: https://doi.org/10.1016/bs.adomc.2024.06.003
    • Vancouver

      Hayashi M, Câmara VS, Oliveira CS, Burtoloso ACB. Chapter Five- Reactions with sulfoxonium ylides using metal-catalysis [Internet]. Advances in Organometallic Chemistry. 2024 ;82 227-286.[citado 2024 out. 17 ] Available from: https://doi.org/10.1016/bs.adomc.2024.06.003
  • Source: Journal of Physical Chemistry C. Unidades: IQSC, IFSC

    Subjects: FÍSICO-QUÍMICA, METAIS, QUÍMICA TEÓRICA

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      SILVEIRA, Julian Francisco Rama Vieira et al. Tailoring excitonic and optoelectronic properties of transition metal dichalcogenide bilayers. Journal of Physical Chemistry C, v. 126, n. 21, p. 9173-9184, 2022Tradução . . Disponível em: https://doi.org/10.1021/acs.jpcc.2c02023. Acesso em: 17 out. 2024.
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      Silveira, J. F. R. V., Besse, R., Dias, A. C., Caturello, N. A. M. S., & Silva, J. L. F. da. (2022). Tailoring excitonic and optoelectronic properties of transition metal dichalcogenide bilayers. Journal of Physical Chemistry C, 126( 21), 9173-9184. doi:10.1021/acs.jpcc.2c02023
    • NLM

      Silveira JFRV, Besse R, Dias AC, Caturello NAMS, Silva JLF da. Tailoring excitonic and optoelectronic properties of transition metal dichalcogenide bilayers [Internet]. Journal of Physical Chemistry C. 2022 ; 126( 21): 9173-9184.[citado 2024 out. 17 ] Available from: https://doi.org/10.1021/acs.jpcc.2c02023
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      Silveira JFRV, Besse R, Dias AC, Caturello NAMS, Silva JLF da. Tailoring excitonic and optoelectronic properties of transition metal dichalcogenide bilayers [Internet]. Journal of Physical Chemistry C. 2022 ; 126( 21): 9173-9184.[citado 2024 out. 17 ] Available from: https://doi.org/10.1021/acs.jpcc.2c02023
  • Source: FlatChem. Unidades: FFCLRP, IQSC

    Subjects: METAIS, QUÍMICA TEÓRICA

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      SAMPAIO, Abner M. et al. Adsorption of Ionic Liquids Forming Species on Ti3C2Tx MXenes Surfaces by First-principle Calculations. FlatChem, p. 100413, 2022Tradução . . Disponível em: https://doi.org/10.1016/j.flatc.2022.100413. Acesso em: 17 out. 2024.
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      Sampaio, A. M., Silveira, J. F. R. V., Dias, L. G., Silva, J. L. F. da, & Siqueira, L. J. A. de. (2022). Adsorption of Ionic Liquids Forming Species on Ti3C2Tx MXenes Surfaces by First-principle Calculations. FlatChem, 100413. doi:10.1016/j.flatc.2022.100413
    • NLM

      Sampaio AM, Silveira JFRV, Dias LG, Silva JLF da, Siqueira LJA de. Adsorption of Ionic Liquids Forming Species on Ti3C2Tx MXenes Surfaces by First-principle Calculations [Internet]. FlatChem. 2022 ;100413.[citado 2024 out. 17 ] Available from: https://doi.org/10.1016/j.flatc.2022.100413
    • Vancouver

      Sampaio AM, Silveira JFRV, Dias LG, Silva JLF da, Siqueira LJA de. Adsorption of Ionic Liquids Forming Species on Ti3C2Tx MXenes Surfaces by First-principle Calculations [Internet]. FlatChem. 2022 ;100413.[citado 2024 out. 17 ] Available from: https://doi.org/10.1016/j.flatc.2022.100413
  • Source: Applied Surface Science. Unidade: IQSC

    Subjects: METAIS, QUÍMICA TEÓRICA, OURO

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      LIMA, Matheus P. e CATURELLO, Naidel A. M. S. e SILVA, Juarez Lopes Ferreira da. Ab initio investigation of the interface between Mo10S24 nanoflakes and the Au(111) surface: Interplay between interaction energy and morphology. Applied Surface Science, v. 604, p. 154413, 2022Tradução . . Disponível em: https://doi.org/10.1016/j.apsusc.2022.154413. Acesso em: 17 out. 2024.
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      Lima, M. P., Caturello, N. A. M. S., & Silva, J. L. F. da. (2022). Ab initio investigation of the interface between Mo10S24 nanoflakes and the Au(111) surface: Interplay between interaction energy and morphology. Applied Surface Science, 604, 154413. doi:10.1016/j.apsusc.2022.154413
    • NLM

      Lima MP, Caturello NAMS, Silva JLF da. Ab initio investigation of the interface between Mo10S24 nanoflakes and the Au(111) surface: Interplay between interaction energy and morphology [Internet]. Applied Surface Science. 2022 ;604 154413.[citado 2024 out. 17 ] Available from: https://doi.org/10.1016/j.apsusc.2022.154413
    • Vancouver

      Lima MP, Caturello NAMS, Silva JLF da. Ab initio investigation of the interface between Mo10S24 nanoflakes and the Au(111) surface: Interplay between interaction energy and morphology [Internet]. Applied Surface Science. 2022 ;604 154413.[citado 2024 out. 17 ] Available from: https://doi.org/10.1016/j.apsusc.2022.154413
  • Source: Physical Review Materials. Unidade: IQSC

    Subjects: METAIS, CROMO

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      DIAS, Alexandre Cavalheiro et al. First-principles Investigation of the Role of Cr in the Electronic Properties of the Two-dimensional MoxCr1 – xSe2 and WxCr1 – xSe2 Alloys. Physical Review Materials, v. 6, p. 54001, 2022Tradução . . Disponível em: https://doi.org/10.1103/PhysRevMaterials.6.054001. Acesso em: 17 out. 2024.
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      Dias, A. C., Bragança, H., Lima, M. P., & Silva, J. L. F. da. (2022). First-principles Investigation of the Role of Cr in the Electronic Properties of the Two-dimensional MoxCr1 – xSe2 and WxCr1 – xSe2 Alloys. Physical Review Materials, 6, 54001. doi:10.1103/PhysRevMaterials.6.054001
    • NLM

      Dias AC, Bragança H, Lima MP, Silva JLF da. First-principles Investigation of the Role of Cr in the Electronic Properties of the Two-dimensional MoxCr1 – xSe2 and WxCr1 – xSe2 Alloys [Internet]. Physical Review Materials. 2022 ;6 54001.[citado 2024 out. 17 ] Available from: https://doi.org/10.1103/PhysRevMaterials.6.054001
    • Vancouver

      Dias AC, Bragança H, Lima MP, Silva JLF da. First-principles Investigation of the Role of Cr in the Electronic Properties of the Two-dimensional MoxCr1 – xSe2 and WxCr1 – xSe2 Alloys [Internet]. Physical Review Materials. 2022 ;6 54001.[citado 2024 out. 17 ] Available from: https://doi.org/10.1103/PhysRevMaterials.6.054001
  • Unidade: IQSC

    Subjects: CATÁLISE, METAIS, ETANOL

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      METZKER, Gustavo et al. First row transition metals on the ethanol Guerbet reaction: Products distribution and structural behavior of mixed metal oxides as catalysts. v. 623, 2021Tradução . . Disponível em: https://doi.org/10.1016/j.apcata.2021.118272. Acesso em: 17 out. 2024.
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      Metzker, G., Vargas, J. A. M., Lima, L. P. de, Perrone, O. M., Siqueira, M. R., Varanda, L. C., & Boscolo, M. (2021). First row transition metals on the ethanol Guerbet reaction: Products distribution and structural behavior of mixed metal oxides as catalysts, 623. doi:10.1016/j.apcata.2021.118272
    • NLM

      Metzker G, Vargas JAM, Lima LP de, Perrone OM, Siqueira MR, Varanda LC, Boscolo M. First row transition metals on the ethanol Guerbet reaction: Products distribution and structural behavior of mixed metal oxides as catalysts [Internet]. 2021 ; 623[citado 2024 out. 17 ] Available from: https://doi.org/10.1016/j.apcata.2021.118272
    • Vancouver

      Metzker G, Vargas JAM, Lima LP de, Perrone OM, Siqueira MR, Varanda LC, Boscolo M. First row transition metals on the ethanol Guerbet reaction: Products distribution and structural behavior of mixed metal oxides as catalysts [Internet]. 2021 ; 623[citado 2024 out. 17 ] Available from: https://doi.org/10.1016/j.apcata.2021.118272
  • Source: Theoretical Chemistry Accounts: theory, computation and modeling. Unidade: IQSC

    Assunto: METAIS

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      MENDES, Rodrigo Araujo e HAIDUKE, Roberto Luiz Andrade. Performance of new exchange–correlation functionals in providing vertical excitation energies of metal complexes. Theoretical Chemistry Accounts: theory, computation and modeling, p. 140-146, 2021Tradução . . Disponível em: https://doi.org/10.1007/s00214-021-02844-8. Acesso em: 17 out. 2024.
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      Mendes, R. A., & Haiduke, R. L. A. (2021). Performance of new exchange–correlation functionals in providing vertical excitation energies of metal complexes. Theoretical Chemistry Accounts: theory, computation and modeling, 140-146. doi:10.1007/s00214-021-02844-8
    • NLM

      Mendes RA, Haiduke RLA. Performance of new exchange–correlation functionals in providing vertical excitation energies of metal complexes [Internet]. Theoretical Chemistry Accounts: theory, computation and modeling. 2021 ;140-146.[citado 2024 out. 17 ] Available from: https://doi.org/10.1007/s00214-021-02844-8
    • Vancouver

      Mendes RA, Haiduke RLA. Performance of new exchange–correlation functionals in providing vertical excitation energies of metal complexes [Internet]. Theoretical Chemistry Accounts: theory, computation and modeling. 2021 ;140-146.[citado 2024 out. 17 ] Available from: https://doi.org/10.1007/s00214-021-02844-8
  • Source: Biosensors and Bioelectronics. Unidades: IQSC, IFSC

    Subjects: ELETROQUÍMICA, METAIS

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      ROMANHOLO, Pedro V. V. et al. Biomimetic electrochemical sensors: new horizons and challenges in biosensing applications. Biosensors and Bioelectronics, v. 185, p. 113242-1-113242-26, 2021Tradução . . Disponível em: https://doi.org/10.1016/j.bios.2021.113242. Acesso em: 17 out. 2024.
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      Romanholo, P. V. V., Razzino, C. A., Raymundo-Pereira, P. A., Prado, T. M., Machado, S. A. S., & Sgobbi, L. F. (2021). Biomimetic electrochemical sensors: new horizons and challenges in biosensing applications. Biosensors and Bioelectronics, 185, 113242-1-113242-26. doi:10.1016/j.bios.2021.113242
    • NLM

      Romanholo PVV, Razzino CA, Raymundo-Pereira PA, Prado TM, Machado SAS, Sgobbi LF. Biomimetic electrochemical sensors: new horizons and challenges in biosensing applications [Internet]. Biosensors and Bioelectronics. 2021 ; 185 113242-1-113242-26.[citado 2024 out. 17 ] Available from: https://doi.org/10.1016/j.bios.2021.113242
    • Vancouver

      Romanholo PVV, Razzino CA, Raymundo-Pereira PA, Prado TM, Machado SAS, Sgobbi LF. Biomimetic electrochemical sensors: new horizons and challenges in biosensing applications [Internet]. Biosensors and Bioelectronics. 2021 ; 185 113242-1-113242-26.[citado 2024 out. 17 ] Available from: https://doi.org/10.1016/j.bios.2021.113242
  • 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: 17 out. 2024.
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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 2024 out. 17 ] 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 2024 out. 17 ] Available from: https://doi.org/10.1039/d1cp01806j
  • Source: ACS Applied Energy Materials. Unidade: IQSC

    Subjects: METAIS, SEMICONDUTORES (FÍSICO-QUÍMICA)

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      DIAS, A. C. et al. Excitonic Effects on Two-Dimensional Transition-Metal Dichalcogenide Monolayers: Impact on Solar Cell Efficiency. ACS Applied Energy Materials, v. 4, n. 4, p. 3265–3278, 2021Tradução . . Disponível em: https://doi.org/10.1021/acsaem.0c03039. Acesso em: 17 out. 2024.
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      Dias, A. C., Bragança, H., Mendonça, J. P. A. de, & Silva, J. L. F. da. (2021). Excitonic Effects on Two-Dimensional Transition-Metal Dichalcogenide Monolayers: Impact on Solar Cell Efficiency. ACS Applied Energy Materials, 4( 4), 3265–3278. doi:10.1021/acsaem.0c03039
    • NLM

      Dias AC, Bragança H, Mendonça JPA de, Silva JLF da. Excitonic Effects on Two-Dimensional Transition-Metal Dichalcogenide Monolayers: Impact on Solar Cell Efficiency [Internet]. ACS Applied Energy Materials. 2021 ; 4( 4): 3265–3278.[citado 2024 out. 17 ] Available from: https://doi.org/10.1021/acsaem.0c03039
    • Vancouver

      Dias AC, Bragança H, Mendonça JPA de, Silva JLF da. Excitonic Effects on Two-Dimensional Transition-Metal Dichalcogenide Monolayers: Impact on Solar Cell Efficiency [Internet]. ACS Applied Energy Materials. 2021 ; 4( 4): 3265–3278.[citado 2024 out. 17 ] Available from: https://doi.org/10.1021/acsaem.0c03039
  • Source: Minerals. Unidade: IQSC

    Subjects: TRATAMENTO DE ÁGUA, RESÍDUOS INDUSTRIAIS, METAIS

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      PESCE, Ruggiero et al. Innovative Magnetic Aggregates for the Removal of Transition Metals from Industrial Wastewater. Minerals, v. 11, n. 6, p. 643 17 June 2021, 2021Tradução . . Disponível em: https://doi.org/10.3390/min11060643. Acesso em: 17 out. 2024.
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      Pesce, R., Accogli, A., Kostoula, C., Ilare, J., Panzeri, G., Perecin, C. J., & Magagnin, L. (2021). Innovative Magnetic Aggregates for the Removal of Transition Metals from Industrial Wastewater. Minerals, 11( 6), 643 17 June 2021. doi:10.3390/min11060643
    • NLM

      Pesce R, Accogli A, Kostoula C, Ilare J, Panzeri G, Perecin CJ, Magagnin L. Innovative Magnetic Aggregates for the Removal of Transition Metals from Industrial Wastewater [Internet]. Minerals. 2021 ; 11( 6): 643 17 June 2021.[citado 2024 out. 17 ] Available from: https://doi.org/10.3390/min11060643
    • Vancouver

      Pesce R, Accogli A, Kostoula C, Ilare J, Panzeri G, Perecin CJ, Magagnin L. Innovative Magnetic Aggregates for the Removal of Transition Metals from Industrial Wastewater [Internet]. Minerals. 2021 ; 11( 6): 643 17 June 2021.[citado 2024 out. 17 ] Available from: https://doi.org/10.3390/min11060643
  • Source: Journal of Chemical Information and Modeling. Unidades: IQSC, IFSC

    Assunto: METAIS

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      MORAIS, Felipe Orlando e ANDRIANI, Karla Furtado e SILVA, Juarez Lopes Ferreira da. Investigation of the stability mechanisms of eight-atom binary metal clusters using DFT calculations and k‑means clustering algorithm. Journal of Chemical Information and Modeling, v. 61, n. 7, p. 3411-3420, 2021Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.1c00253. Acesso em: 17 out. 2024.
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      Morais, F. O., Andriani, K. F., & Silva, J. L. F. da. (2021). Investigation of the stability mechanisms of eight-atom binary metal clusters using DFT calculations and k‑means clustering algorithm. Journal of Chemical Information and Modeling, 61( 7), 3411-3420. doi:10.1021/acs.jcim.1c00253
    • NLM

      Morais FO, Andriani KF, Silva JLF da. Investigation of the stability mechanisms of eight-atom binary metal clusters using DFT calculations and k‑means clustering algorithm [Internet]. Journal of Chemical Information and Modeling. 2021 ; 61( 7): 3411-3420.[citado 2024 out. 17 ] Available from: https://doi.org/10.1021/acs.jcim.1c00253
    • Vancouver

      Morais FO, Andriani KF, Silva JLF da. Investigation of the stability mechanisms of eight-atom binary metal clusters using DFT calculations and k‑means clustering algorithm [Internet]. Journal of Chemical Information and Modeling. 2021 ; 61( 7): 3411-3420.[citado 2024 out. 17 ] Available from: https://doi.org/10.1021/acs.jcim.1c00253
  • Source: Dalton Transactions. Unidade: IQSC

    Subjects: CRISTALOGRAFIA FÍSICA, QUÍMICA DE COORDENAÇÃO, METAIS

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      GONÇALVES, Ana C. R. et al. Intramolecular C(sp2)–C (sp2) bond formation between phenanthroline and β-diketone thiosemicarbazones in PtII complexes: crystal structures and computational studies. Dalton Transactions, v. 49, p. 9564-9567, 2020Tradução . . Disponível em: https://doi.org/10.1039/D0DT00367K. Acesso em: 17 out. 2024.
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      Gonçalves, A. C. R., Rettondin, A. R., Oliveira, C. G., Patrocínio, A. O., Machado, A. E. H., Deflon, V. M., et al. (2020). Intramolecular C(sp2)–C (sp2) bond formation between phenanthroline and β-diketone thiosemicarbazones in PtII complexes: crystal structures and computational studies. Dalton Transactions, 49, 9564-9567. doi:10.1039/D0DT00367K
    • NLM

      Gonçalves ACR, Rettondin AR, Oliveira CG, Patrocínio AO, Machado AEH, Deflon VM, Abram U, Maia PI da S. Intramolecular C(sp2)–C (sp2) bond formation between phenanthroline and β-diketone thiosemicarbazones in PtII complexes: crystal structures and computational studies [Internet]. Dalton Transactions. 2020 ; 49 9564-9567.[citado 2024 out. 17 ] Available from: https://doi.org/10.1039/D0DT00367K
    • Vancouver

      Gonçalves ACR, Rettondin AR, Oliveira CG, Patrocínio AO, Machado AEH, Deflon VM, Abram U, Maia PI da S. Intramolecular C(sp2)–C (sp2) bond formation between phenanthroline and β-diketone thiosemicarbazones in PtII complexes: crystal structures and computational studies [Internet]. Dalton Transactions. 2020 ; 49 9564-9567.[citado 2024 out. 17 ] Available from: https://doi.org/10.1039/D0DT00367K
  • 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: 17 out. 2024.
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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 2024 out. 17 ] 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 2024 out. 17 ] Available from: https://doi.org/10.1021/acs.jpcb.0c06500

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