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Filtros : "GALEMBECK, SERGIO EMANUEL" "FFCLRP" Removidos: "IFSC005" "Indexado no: Web of Science" "De Jong, David" "PINTO, JOSE MARCELINO DE REZENDE" "2010" "Financiamento RCN" Limpar

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  • Artigo de periodico

    Understanding the Fe-CO bond through the electronic structure of Fem+(CO)6-nLn, m = 2, 3, n = 0–3, L = Cl−, Br−, H2O or NH3 (2021)

    Pelegrini, Marina; Galembeck, Sérgio Emanuel

    Source: Journal of Molecular Modeling. Unidade: FFCLRP

    Subjects: MONÓXIDO DE CARBONO, LIGANTES, QUÍMICA QUÂNTICA, ORBITAL MOLECULAR

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      PELEGRINI, Marina e GALEMBECK, Sérgio Emanuel. Understanding the Fe-CO bond through the electronic structure of Fem+(CO)6-nLn, m = 2, 3, n = 0–3, L = Cl−, Br−, H2O or NH3. Journal of Molecular Modeling, v. 27, n. 5, 2021Tradução . . Disponível em: https://doi.org/10.1007/s00894-021-04744-x. Acesso em: 12 nov. 2024.

    • APA

      Pelegrini, M., & Galembeck, S. E. (2021). Understanding the Fe-CO bond through the electronic structure of Fem+(CO)6-nLn, m = 2, 3, n = 0–3, L = Cl−, Br−, H2O or NH3. Journal of Molecular Modeling, 27( 5). doi:10.1007/s00894-021-04744-x

    • NLM

      Pelegrini M, Galembeck SE. Understanding the Fe-CO bond through the electronic structure of Fem+(CO)6-nLn, m = 2, 3, n = 0–3, L = Cl−, Br−, H2O or NH3 [Internet]. Journal of Molecular Modeling. 2021 ; 27( 5):[citado 2024 nov. 12 ] Available from: https://doi.org/10.1007/s00894-021-04744-x

    • Vancouver

      Pelegrini M, Galembeck SE. Understanding the Fe-CO bond through the electronic structure of Fem+(CO)6-nLn, m = 2, 3, n = 0–3, L = Cl−, Br−, H2O or NH3 [Internet]. Journal of Molecular Modeling. 2021 ; 27( 5):[citado 2024 nov. 12 ] Available from: https://doi.org/10.1007/s00894-021-04744-x

  • Artigo de periodico

    Through-bond and through-space interactions in [2,2]cyclophanes (2021)

    Galembeck, Sérgio Emanuel; Orenha, Renato Pereira; Madeira, Rafael Martinez; Peixoto, Letícia B.; Parreira, Renato L. T.

    Source: Journal of the Brazilian Chemical Society. Unidade: FFCLRP

    Subjects: ÁTOMOS, LIGAÇÕES QUÍMICAS, INTERAÇÃO QUÍMICA

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      GALEMBECK, Sérgio Emanuel et al. Through-bond and through-space interactions in [2,2]cyclophanes. Journal of the Brazilian Chemical Society, v. 32, n. 7, p. 1447-1455, 2021Tradução . . Disponível em: https://doi.org/10.21577/0103-5053.20210043. Acesso em: 12 nov. 2024.

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      Galembeck, S. E., Orenha, R. P., Madeira, R. M., Peixoto, L. B., & Parreira, R. L. T. (2021). Through-bond and through-space interactions in [2,2]cyclophanes. Journal of the Brazilian Chemical Society, 32( 7), 1447-1455. doi:10.21577/0103-5053.20210043

    • NLM

      Galembeck SE, Orenha RP, Madeira RM, Peixoto LB, Parreira RLT. Through-bond and through-space interactions in [2,2]cyclophanes [Internet]. Journal of the Brazilian Chemical Society. 2021 ; 32( 7): 1447-1455.[citado 2024 nov. 12 ] Available from: https://doi.org/10.21577/0103-5053.20210043

    • Vancouver

      Galembeck SE, Orenha RP, Madeira RM, Peixoto LB, Parreira RLT. Through-bond and through-space interactions in [2,2]cyclophanes [Internet]. Journal of the Brazilian Chemical Society. 2021 ; 32( 7): 1447-1455.[citado 2024 nov. 12 ] Available from: https://doi.org/10.21577/0103-5053.20210043

  • Artigo de periodico

    The usefulness of energy decomposition schemes to rationalize host–guest interactions (2020)

    Caramori, Giovanni F.; Oestroem, Ina; Ortolan, Alexandre O.; Nagurniak, Gláucio R.; Besen, Vitor M.; Muñoz-Castro, Alvaro; Orenha, Renato P.; Parreira, Renato L. T.; Galembeck, Sérgio Emanuel

    Source: Dalton Transactions. Unidade: FFCLRP

    Subjects: ENERGIA, MÉTODOS DE DECOMPOSIÇÃO, QUÍMICA SUPRAMOLECULAR

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      CARAMORI, Giovanni F. et al. The usefulness of energy decomposition schemes to rationalize host–guest interactions. Dalton Transactions, v. 49, n. 48, p. 17457-17471, 2020Tradução . . Disponível em: https://doi.org/10.1039/d0dt03518a. Acesso em: 12 nov. 2024.

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      Caramori, G. F., Oestroem, I., Ortolan, A. O., Nagurniak, G. R., Besen, V. M., Muñoz-Castro, A., et al. (2020). The usefulness of energy decomposition schemes to rationalize host–guest interactions. Dalton Transactions, 49( 48), 17457-17471. doi:10.1039/d0dt03518a

    • NLM

      Caramori GF, Oestroem I, Ortolan AO, Nagurniak GR, Besen VM, Muñoz-Castro A, Orenha RP, Parreira RLT, Galembeck SE. The usefulness of energy decomposition schemes to rationalize host–guest interactions [Internet]. Dalton Transactions. 2020 ; 49( 48): 17457-17471.[citado 2024 nov. 12 ] Available from: https://doi.org/10.1039/d0dt03518a

    • Vancouver

      Caramori GF, Oestroem I, Ortolan AO, Nagurniak GR, Besen VM, Muñoz-Castro A, Orenha RP, Parreira RLT, Galembeck SE. The usefulness of energy decomposition schemes to rationalize host–guest interactions [Internet]. Dalton Transactions. 2020 ; 49( 48): 17457-17471.[citado 2024 nov. 12 ] Available from: https://doi.org/10.1039/d0dt03518a

  • Artigo de periodico

    Recovery of acetophenones from acetophenone hydrazones using ultraviolet radiation and chlorinated solvents: an experimental and theoretical investigation (2020)

    Martins, Danilo Eduardo; Madeira, Rafael Martinez; Fernandes, Cleverton S.; Galembeck, Sérgio Emanuel ; Basso, Ernani A.; Pontes, Rodrigo M.

    Source: Journal of Molecular Structure. Unidade: FFCLRP

    Subjects: COMPOSTOS ORGÂNICOS, IRRADIAÇÃO

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      MARTINS, Danilo Eduardo et al. Recovery of acetophenones from acetophenone hydrazones using ultraviolet radiation and chlorinated solvents: an experimental and theoretical investigation. Journal of Molecular Structure, v. 1201, 2020Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2019.127209. Acesso em: 12 nov. 2024.

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      Martins, D. E., Madeira, R. M., Fernandes, C. S., Galembeck, S. E., Basso, E. A., & Pontes, R. M. (2020). Recovery of acetophenones from acetophenone hydrazones using ultraviolet radiation and chlorinated solvents: an experimental and theoretical investigation. Journal of Molecular Structure, 1201. doi:10.1016/j.molstruc.2019.127209

    • NLM

      Martins DE, Madeira RM, Fernandes CS, Galembeck SE, Basso EA, Pontes RM. Recovery of acetophenones from acetophenone hydrazones using ultraviolet radiation and chlorinated solvents: an experimental and theoretical investigation [Internet]. Journal of Molecular Structure. 2020 ; 1201[citado 2024 nov. 12 ] Available from: https://doi.org/10.1016/j.molstruc.2019.127209

    • Vancouver

      Martins DE, Madeira RM, Fernandes CS, Galembeck SE, Basso EA, Pontes RM. Recovery of acetophenones from acetophenone hydrazones using ultraviolet radiation and chlorinated solvents: an experimental and theoretical investigation [Internet]. Journal of Molecular Structure. 2020 ; 1201[citado 2024 nov. 12 ] Available from: https://doi.org/10.1016/j.molstruc.2019.127209

  • Artigo de periodico

    How does the pH influences the Ru-NO coordination compounds? (2019)

    Orenha, Renato Pereira; Galembeck, Sérgio Emanuel

    Source: International Journal of Quantum Chemistry. Unidade: FFCLRP

    Subjects: QUÍMICA APLICADA, COMPUTAÇÃO APLICADA, ÁTOMOS, ÓXIDO NÍTRICO

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      ORENHA, Renato Pereira e GALEMBECK, Sérgio Emanuel. How does the pH influences the Ru-NO coordination compounds?. International Journal of Quantum Chemistry, v. 119, n. 20, 2019Tradução . . Disponível em: https://doi.org/10.1002/qua.25999. Acesso em: 12 nov. 2024.

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      Orenha, R. P., & Galembeck, S. E. (2019). How does the pH influences the Ru-NO coordination compounds? International Journal of Quantum Chemistry, 119( 20). doi:10.1002/qua.25999

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      Orenha RP, Galembeck SE. How does the pH influences the Ru-NO coordination compounds? [Internet]. International Journal of Quantum Chemistry. 2019 ; 119( 20):[citado 2024 nov. 12 ] Available from: https://doi.org/10.1002/qua.25999

    • Vancouver

      Orenha RP, Galembeck SE. How does the pH influences the Ru-NO coordination compounds? [Internet]. International Journal of Quantum Chemistry. 2019 ; 119( 20):[citado 2024 nov. 12 ] Available from: https://doi.org/10.1002/qua.25999

  • Artigo de periodico

    Shedding light on the electronic structure of [Ru(η6-C16H16)(NH3)3]2+ complex: a computational insight (2019)

    Orenha, Renato Pereira; Caramori, Giovanni Finoto; Misturini, Alechania; Galembeck, Sérgio Emanuel

    Source: Journal of Molecular Modeling. Unidade: FFCLRP

    Subjects: LIGAÇÕES QUÍMICAS, ESTRUTURA ELETRÔNICA, COMPUTAÇÃO APLICADA

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      ORENHA, Renato Pereira et al. Shedding light on the electronic structure of [Ru(η6-C16H16)(NH3)3]2+ complex: a computational insight. Journal of Molecular Modeling, v. 25, n. 1, 2019Tradução . . Disponível em: https://doi.org/10.1007/s00894-018-3882-6. Acesso em: 12 nov. 2024.

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      Orenha, R. P., Caramori, G. F., Misturini, A., & Galembeck, S. E. (2019). Shedding light on the electronic structure of [Ru(η6-C16H16)(NH3)3]2+ complex: a computational insight. Journal of Molecular Modeling, 25( 1). doi:10.1007/s00894-018-3882-6

    • NLM

      Orenha RP, Caramori GF, Misturini A, Galembeck SE. Shedding light on the electronic structure of [Ru(η6-C16H16)(NH3)3]2+ complex: a computational insight [Internet]. Journal of Molecular Modeling. 2019 ; 25( 1):[citado 2024 nov. 12 ] Available from: https://doi.org/10.1007/s00894-018-3882-6

    • Vancouver

      Orenha RP, Caramori GF, Misturini A, Galembeck SE. Shedding light on the electronic structure of [Ru(η6-C16H16)(NH3)3]2+ complex: a computational insight [Internet]. Journal of Molecular Modeling. 2019 ; 25( 1):[citado 2024 nov. 12 ] Available from: https://doi.org/10.1007/s00894-018-3882-6

  • Artigo de periodico

    Use of density functional based tight binding methods in vibrational circular dichroism (2018)

    Teodoro, Tiago Quevedo ; Koenis, M. A. J.; Rüger, R.; Galembeck, Sérgio Emanuel ; Buma, W. J.; Nicu, V. P.; Visscher, Lucas

    Source: The Journal of Physical Chemistry A. Unidade: FFCLRP

    Subjects: ESPECTROMETRIA, QUÍMICA QUÂNTICA

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      TEODORO, Tiago Quevedo et al. Use of density functional based tight binding methods in vibrational circular dichroism. The Journal of Physical Chemistry A, v. 122, n. 49, p. 9435-9445, 2018Tradução . . Disponível em: https://doi.org/10.1021/acs.jpca.8b08218. Acesso em: 12 nov. 2024.

    • APA

      Teodoro, T. Q., Koenis, M. A. J., Rüger, R., Galembeck, S. E., Buma, W. J., Nicu, V. P., & Visscher, L. (2018). Use of density functional based tight binding methods in vibrational circular dichroism. The Journal of Physical Chemistry A, 122( 49), 9435-9445. doi:10.1021/acs.jpca.8b08218

    • NLM

      Teodoro TQ, Koenis MAJ, Rüger R, Galembeck SE, Buma WJ, Nicu VP, Visscher L. Use of density functional based tight binding methods in vibrational circular dichroism [Internet]. The Journal of Physical Chemistry A. 2018 ; 122( 49): 9435-9445.[citado 2024 nov. 12 ] Available from: https://doi.org/10.1021/acs.jpca.8b08218

    • Vancouver

      Teodoro TQ, Koenis MAJ, Rüger R, Galembeck SE, Buma WJ, Nicu VP, Visscher L. Use of density functional based tight binding methods in vibrational circular dichroism [Internet]. The Journal of Physical Chemistry A. 2018 ; 122( 49): 9435-9445.[citado 2024 nov. 12 ] Available from: https://doi.org/10.1021/acs.jpca.8b08218

  • Artigo de periodico

    How does the total charge and isomerism influence the Ru–NO ammine complexes? (2018)

    Orenha, Renato Pereira ; Tfouni, Elia ; Galembeck, Sérgio Emanuel

    Source: Physical Chemistry Chemical Physics. Unidade: FFCLRP

    Subjects: QUÍMICA ORGÂNICA, RUTÊNIO, ÓXIDO NÍTRICO

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      ORENHA, Renato Pereira e TFOUNI, Elia e GALEMBECK, Sérgio Emanuel. How does the total charge and isomerism influence the Ru–NO ammine complexes?. Physical Chemistry Chemical Physics, v. 20, n. 19, p. 13348-13356, 2018Tradução . . Disponível em: https://doi.org/10.1039/c8cp00865e. Acesso em: 12 nov. 2024.

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      Orenha, R. P., Tfouni, E., & Galembeck, S. E. (2018). How does the total charge and isomerism influence the Ru–NO ammine complexes? Physical Chemistry Chemical Physics, 20( 19), 13348-13356. doi:10.1039/c8cp00865e

    • NLM

      Orenha RP, Tfouni E, Galembeck SE. How does the total charge and isomerism influence the Ru–NO ammine complexes? [Internet]. Physical Chemistry Chemical Physics. 2018 ; 20( 19): 13348-13356.[citado 2024 nov. 12 ] Available from: https://doi.org/10.1039/c8cp00865e

    • Vancouver

      Orenha RP, Tfouni E, Galembeck SE. How does the total charge and isomerism influence the Ru–NO ammine complexes? [Internet]. Physical Chemistry Chemical Physics. 2018 ; 20( 19): 13348-13356.[citado 2024 nov. 12 ] Available from: https://doi.org/10.1039/c8cp00865e

  • Artigo de periodico

    The influence of the negative hyperconjugation is relevant for the analysis of the π-π* conjugation with the mono-substitution and di-substitution of H2C= by O= and/or HN= in trans-buta-1,3-diene ? (2018)

    Orenha, Renato Pereira ; Vessecchi, Ricardo ; Galembeck, Sérgio Emanuel

    Source: Structural Chemistry. Unidade: FFCLRP

    Subjects: QUÍMICA ORGÂNICA, MODELAGEM MOLECULAR

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      ORENHA, Renato Pereira e VESSECCHI, Ricardo e GALEMBECK, Sérgio Emanuel. The influence of the negative hyperconjugation is relevant for the analysis of the π-π* conjugation with the mono-substitution and di-substitution of H2C= by O= and/or HN= in trans-buta-1,3-diene ?. Structural Chemistry, v. 29, n. 3, p. 847-857, 2018Tradução . . Disponível em: https://doi.org/10.1007/s11224-017-1070-4. Acesso em: 12 nov. 2024.

    • APA

      Orenha, R. P., Vessecchi, R., & Galembeck, S. E. (2018). The influence of the negative hyperconjugation is relevant for the analysis of the π-π* conjugation with the mono-substitution and di-substitution of H2C= by O= and/or HN= in trans-buta-1,3-diene ? Structural Chemistry, 29( 3), 847-857. doi:10.1007/s11224-017-1070-4

    • NLM

      Orenha RP, Vessecchi R, Galembeck SE. The influence of the negative hyperconjugation is relevant for the analysis of the π-π* conjugation with the mono-substitution and di-substitution of H2C= by O= and/or HN= in trans-buta-1,3-diene ? [Internet]. Structural Chemistry. 2018 ; 29( 3): 847-857.[citado 2024 nov. 12 ] Available from: https://doi.org/10.1007/s11224-017-1070-4

    • Vancouver

      Orenha RP, Vessecchi R, Galembeck SE. The influence of the negative hyperconjugation is relevant for the analysis of the π-π* conjugation with the mono-substitution and di-substitution of H2C= by O= and/or HN= in trans-buta-1,3-diene ? [Internet]. Structural Chemistry. 2018 ; 29( 3): 847-857.[citado 2024 nov. 12 ] Available from: https://doi.org/10.1007/s11224-017-1070-4

  • Artigo de periodico

    Frequency range selection method for vibrational spectra (2018)

    Teodoro, Tiago Quevedo ; Koenis, M. A. J.; Galembeck, Sérgio Emanuel ; Nicu, V. P.; Buma, W. J.; Visscher, Lucas

    Source: The Journal of Physical Chemistry Letters. Unidade: FFCLRP

    Subjects: ESPECTROMETRIA, FÍSICO-QUÍMICA

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      TEODORO, Tiago Quevedo et al. Frequency range selection method for vibrational spectra. The Journal of Physical Chemistry Letters, v. 9, n. 23, p. 6878-6882, 2018Tradução . . Disponível em: https://doi.org/10.1021/acs.jpclett.8b02963. Acesso em: 12 nov. 2024.

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      Teodoro, T. Q., Koenis, M. A. J., Galembeck, S. E., Nicu, V. P., Buma, W. J., & Visscher, L. (2018). Frequency range selection method for vibrational spectra. The Journal of Physical Chemistry Letters, 9( 23), 6878-6882. doi:10.1021/acs.jpclett.8b02963

    • NLM

      Teodoro TQ, Koenis MAJ, Galembeck SE, Nicu VP, Buma WJ, Visscher L. Frequency range selection method for vibrational spectra [Internet]. The Journal of Physical Chemistry Letters. 2018 ; 9( 23): 6878-6882.[citado 2024 nov. 12 ] Available from: https://doi.org/10.1021/acs.jpclett.8b02963

    • Vancouver

      Teodoro TQ, Koenis MAJ, Galembeck SE, Nicu VP, Buma WJ, Visscher L. Frequency range selection method for vibrational spectra [Internet]. The Journal of Physical Chemistry Letters. 2018 ; 9( 23): 6878-6882.[citado 2024 nov. 12 ] Available from: https://doi.org/10.1021/acs.jpclett.8b02963

  • Trabalho de evento-resumo

    Structure and spectroscopy of 1-deazaadenine-Ag-thymine: a metal mediated base-pair (2017)

    Borin, Antonio Carlos ; Araújo, Adalberto Vasconcelos Sanches de; Galembeck, Sérgio Emanuel

    Source: Resumos. Conference titles: Simpósio Brasileiro de Química Teórica/SBQT. Unidades: IQ, FFCLRP

    Assunto: ESPECTROSCOPIA

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      BORIN, Antonio Carlos e ARAÚJO, Adalberto Vasconcelos Sanches de e GALEMBECK, Sérgio Emanuel. Structure and spectroscopy of 1-deazaadenine-Ag-thymine: a metal mediated base-pair. 2017, Anais.. São Paulo: IF/USP, 2017. . Acesso em: 12 nov. 2024.

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      Borin, A. C., Araújo, A. V. S. de, & Galembeck, S. E. (2017). Structure and spectroscopy of 1-deazaadenine-Ag-thymine: a metal mediated base-pair. In Resumos. São Paulo: IF/USP.

    • NLM

      Borin AC, Araújo AVS de, Galembeck SE. Structure and spectroscopy of 1-deazaadenine-Ag-thymine: a metal mediated base-pair. Resumos. 2017 ;[citado 2024 nov. 12 ]

    • Vancouver

      Borin AC, Araújo AVS de, Galembeck SE. Structure and spectroscopy of 1-deazaadenine-Ag-thymine: a metal mediated base-pair. Resumos. 2017 ;[citado 2024 nov. 12 ]

  • Artigo de periodico

    Metal–ligand bonding situation in ruthenophanes containing multibridged cyclophanes (2017)

    Galembeck, Sérgio Emanuel; Caramori, Giovanni F.; Misturini, Alechania; Garcia, Leone C.; Orenha, Renato P.

    Source: Organometallics. Unidade: FFCLRP

    Subjects: HIDROCARBONETOS, RUTÊNIO, LIGANTES

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      GALEMBECK, Sérgio Emanuel et al. Metal–ligand bonding situation in ruthenophanes containing multibridged cyclophanes. Organometallics, v. 36, n. 18, p. 3465-3470, 2017Tradução . . Disponível em: https://doi.org/10.1021/acs.organomet.7b00393. Acesso em: 12 nov. 2024.

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      Galembeck, S. E., Caramori, G. F., Misturini, A., Garcia, L. C., & Orenha, R. P. (2017). Metal–ligand bonding situation in ruthenophanes containing multibridged cyclophanes. Organometallics, 36( 18), 3465-3470. doi:10.1021/acs.organomet.7b00393

    • NLM

      Galembeck SE, Caramori GF, Misturini A, Garcia LC, Orenha RP. Metal–ligand bonding situation in ruthenophanes containing multibridged cyclophanes [Internet]. Organometallics. 2017 ; 36( 18): 3465-3470.[citado 2024 nov. 12 ] Available from: https://doi.org/10.1021/acs.organomet.7b00393

    • Vancouver

      Galembeck SE, Caramori GF, Misturini A, Garcia LC, Orenha RP. Metal–ligand bonding situation in ruthenophanes containing multibridged cyclophanes [Internet]. Organometallics. 2017 ; 36( 18): 3465-3470.[citado 2024 nov. 12 ] Available from: https://doi.org/10.1021/acs.organomet.7b00393

  • Artigo de periodico

    Nature of the Ru-No coordination bond: Kohn-Sham molecular orbital and energy decomposition analysis (2017)

    Orenha, Renato P.; Rocha, Marcus V. J.; Poatr, Jordi; Galembeck, Sérgio Emanuel; Bickelhaupt, F. Mathias

    Source: Chemistry Open. Unidade: FFCLRP

    Subjects: ÓXIDO NÍTRICO, RUTÊNIO, LIGAÇÕES QUÍMICAS, QUÍMICA QUÂNTICA

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      ORENHA, Renato P. et al. Nature of the Ru-No coordination bond: Kohn-Sham molecular orbital and energy decomposition analysis. Chemistry Open, v. 6, p. 410-416, 2017Tradução . . Disponível em: https://doi.org/10.1002/open.201700028. Acesso em: 12 nov. 2024.

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      Orenha, R. P., Rocha, M. V. J., Poatr, J., Galembeck, S. E., & Bickelhaupt, F. M. (2017). Nature of the Ru-No coordination bond: Kohn-Sham molecular orbital and energy decomposition analysis. Chemistry Open, 6, 410-416. doi:10.1002/open.201700028

    • NLM

      Orenha RP, Rocha MVJ, Poatr J, Galembeck SE, Bickelhaupt FM. Nature of the Ru-No coordination bond: Kohn-Sham molecular orbital and energy decomposition analysis [Internet]. Chemistry Open. 2017 ; 6 410-416.[citado 2024 nov. 12 ] Available from: https://doi.org/10.1002/open.201700028

    • Vancouver

      Orenha RP, Rocha MVJ, Poatr J, Galembeck SE, Bickelhaupt FM. Nature of the Ru-No coordination bond: Kohn-Sham molecular orbital and energy decomposition analysis [Internet]. Chemistry Open. 2017 ; 6 410-416.[citado 2024 nov. 12 ] Available from: https://doi.org/10.1002/open.201700028

  • Artigo de periodico

    Computationally designed 1,2,4-triazolylidene-derived N-heterocyclic olefins for CO2 capture, activation, and storage (2017)

    Batista, Ana Paula de Lima; Oliveira Filho, Antonio Gustavo Sampaio de; Galembeck, Sérgio Emanuel

    Source: ACS Omega. Unidade: FFCLRP

    Subjects: DIÓXIDO DE CARBONO, HIDROCARBONOS, QUÍMICA QUÂNTICA

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      BATISTA, Ana Paula de Lima e OLIVEIRA FILHO, Antonio Gustavo Sampaio de e GALEMBECK, Sérgio Emanuel. Computationally designed 1,2,4-triazolylidene-derived N-heterocyclic olefins for CO2 capture, activation, and storage. ACS Omega, v. 2, p. 299-307, 2017Tradução . . Disponível em: https://doi.org/10.1021/acsomega.6b00411. Acesso em: 12 nov. 2024.

    • APA

      Batista, A. P. de L., Oliveira Filho, A. G. S. de, & Galembeck, S. E. (2017). Computationally designed 1,2,4-triazolylidene-derived N-heterocyclic olefins for CO2 capture, activation, and storage. ACS Omega, 2, 299-307. doi:10.1021/acsomega.6b00411

    • NLM

      Batista AP de L, Oliveira Filho AGS de, Galembeck SE. Computationally designed 1,2,4-triazolylidene-derived N-heterocyclic olefins for CO2 capture, activation, and storage [Internet]. ACS Omega. 2017 ; 2 299-307.[citado 2024 nov. 12 ] Available from: https://doi.org/10.1021/acsomega.6b00411

    • Vancouver

      Batista AP de L, Oliveira Filho AGS de, Galembeck SE. Computationally designed 1,2,4-triazolylidene-derived N-heterocyclic olefins for CO2 capture, activation, and storage [Internet]. ACS Omega. 2017 ; 2 299-307.[citado 2024 nov. 12 ] Available from: https://doi.org/10.1021/acsomega.6b00411

  • Artigo de periodico

    Photophysical properties and the NO photorelease mechanism of a ruthenium nitrosyl model complex investigated using the CASSCF-in-DFT embedding approach (2017)

    Batista, Ana P. de Lima; Oliveira Filho, Antonio Gustavo Sampaio de; Galembeck, Sérgio Emanuel

    Source: Physical Chemistry Chemical Physics - PCCP. Unidade: FFCLRP

    Subjects: ÓXIDO NÍTRICO, RUTÊNIO, QUÍMICA QUÂNTICA, FOTOQUÍMICA

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      BATISTA, Ana P. de Lima e OLIVEIRA FILHO, Antonio Gustavo Sampaio de e GALEMBECK, Sérgio Emanuel. Photophysical properties and the NO photorelease mechanism of a ruthenium nitrosyl model complex investigated using the CASSCF-in-DFT embedding approach. Physical Chemistry Chemical Physics - PCCP, v. 19, n. 21, p. 13860-13867, 2017Tradução . . Disponível em: https://doi.org/10.1039/c7cp01642e. Acesso em: 12 nov. 2024.

    • APA

      Batista, A. P. de L., Oliveira Filho, A. G. S. de, & Galembeck, S. E. (2017). Photophysical properties and the NO photorelease mechanism of a ruthenium nitrosyl model complex investigated using the CASSCF-in-DFT embedding approach. Physical Chemistry Chemical Physics - PCCP, 19( 21), 13860-13867. doi:10.1039/c7cp01642e

    • NLM

      Batista AP de L, Oliveira Filho AGS de, Galembeck SE. Photophysical properties and the NO photorelease mechanism of a ruthenium nitrosyl model complex investigated using the CASSCF-in-DFT embedding approach [Internet]. Physical Chemistry Chemical Physics - PCCP. 2017 ; 19( 21): 13860-13867.[citado 2024 nov. 12 ] Available from: https://doi.org/10.1039/c7cp01642e

    • Vancouver

      Batista AP de L, Oliveira Filho AGS de, Galembeck SE. Photophysical properties and the NO photorelease mechanism of a ruthenium nitrosyl model complex investigated using the CASSCF-in-DFT embedding approach [Internet]. Physical Chemistry Chemical Physics - PCCP. 2017 ; 19( 21): 13860-13867.[citado 2024 nov. 12 ] Available from: https://doi.org/10.1039/c7cp01642e

  • Artigo de periodico

    How computational methods and relativistic effects influence the study of chemical reactions involving Ru-NO complexes? (2017)

    Orenha, Renato Pereira; Santiago, Regis Tadeu; Haiduke, Roberto Luiz Andrade ; Galembeck, Sérgio Emanuel

    Source: Journal of computational chemistry. Unidades: IQSC, FFCLRP

    Assunto: REAÇÕES QUÍMICAS

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      ORENHA, Renato Pereira et al. How computational methods and relativistic effects influence the study of chemical reactions involving Ru-NO complexes?. Journal of computational chemistry, v. 38, p. 883-891, 2017Tradução . . Disponível em: https://doi.org/10.1002/jcc.24762. Acesso em: 12 nov. 2024.

    • APA

      Orenha, R. P., Santiago, R. T., Haiduke, R. L. A., & Galembeck, S. E. (2017). How computational methods and relativistic effects influence the study of chemical reactions involving Ru-NO complexes? Journal of computational chemistry, 38, 883-891. doi:10.1002/jcc.24762

    • NLM

      Orenha RP, Santiago RT, Haiduke RLA, Galembeck SE. How computational methods and relativistic effects influence the study of chemical reactions involving Ru-NO complexes? [Internet]. Journal of computational chemistry. 2017 ; 38 883-891.[citado 2024 nov. 12 ] Available from: https://doi.org/10.1002/jcc.24762

    • Vancouver

      Orenha RP, Santiago RT, Haiduke RLA, Galembeck SE. How computational methods and relativistic effects influence the study of chemical reactions involving Ru-NO complexes? [Internet]. Journal of computational chemistry. 2017 ; 38 883-891.[citado 2024 nov. 12 ] Available from: https://doi.org/10.1002/jcc.24762

  • Artigo de periodico

    Phototransformation of cyanine dye with two chromophores: effects of oxygen and dye concentration (2017)

    Silva, Érika R.; Pavanelli, André L. S.; Mostaço, Leila B.; Schaberle, Fábio A.; Galembeck, Sérgio Emanuel; Gonçalves, Pablo J.; Costa e Silva, Rodrigo; Ferreira, Lucimara P.; Nekipelova, Tatiana D.; Kostyukov, Alexey A.; Radchenko, Alexandra S.; Shtil, Alexandr A.; Kuzmin, Vladimir A.; Borissevitch, Iouri

    Source: Journal of Photochemistry and Photobiology A: Chemistry. Unidade: FFCLRP

    Subjects: CORANTES FLUORESCENTES, LUZ, ESPECTROSCOPIA

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      SILVA, Érika R. et al. Phototransformation of cyanine dye with two chromophores: effects of oxygen and dye concentration. Journal of Photochemistry and Photobiology A: Chemistry, v. 349, p. 42-48, 2017Tradução . . Disponível em: https://doi.org/10.1016/j.jphotochem.2017.08.063. Acesso em: 12 nov. 2024.

    • APA

      Silva, É. R., Pavanelli, A. L. S., Mostaço, L. B., Schaberle, F. A., Galembeck, S. E., Gonçalves, P. J., et al. (2017). Phototransformation of cyanine dye with two chromophores: effects of oxygen and dye concentration. Journal of Photochemistry and Photobiology A: Chemistry, 349, 42-48. doi:10.1016/j.jphotochem.2017.08.063

    • NLM

      Silva ÉR, Pavanelli ALS, Mostaço LB, Schaberle FA, Galembeck SE, Gonçalves PJ, Costa e Silva R, Ferreira LP, Nekipelova TD, Kostyukov AA, Radchenko AS, Shtil AA, Kuzmin VA, Borissevitch I. Phototransformation of cyanine dye with two chromophores: effects of oxygen and dye concentration [Internet]. Journal of Photochemistry and Photobiology A: Chemistry. 2017 ; 349 42-48.[citado 2024 nov. 12 ] Available from: https://doi.org/10.1016/j.jphotochem.2017.08.063

    • Vancouver

      Silva ÉR, Pavanelli ALS, Mostaço LB, Schaberle FA, Galembeck SE, Gonçalves PJ, Costa e Silva R, Ferreira LP, Nekipelova TD, Kostyukov AA, Radchenko AS, Shtil AA, Kuzmin VA, Borissevitch I. Phototransformation of cyanine dye with two chromophores: effects of oxygen and dye concentration [Internet]. Journal of Photochemistry and Photobiology A: Chemistry. 2017 ; 349 42-48.[citado 2024 nov. 12 ] Available from: https://doi.org/10.1016/j.jphotochem.2017.08.063

  • Artigo de periodico

    CO2 sequestration by triazolylidene-derived N-heterocyclic olefins: a computational study (2017)

    Batista, Ana P. de Lima; Oliveira Filho, Antonio Gustavo Sampaio de; Galembeck, Sérgio Emanuel

    Source: Chemistry Select. Unidade: FFCLRP

    Subjects: DIÓXIDO DE CARBONO, QUÍMICA QUÂNTICA, HIDROCARBONOS

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      BATISTA, Ana P. de Lima e OLIVEIRA FILHO, Antonio Gustavo Sampaio de e GALEMBECK, Sérgio Emanuel. CO2 sequestration by triazolylidene-derived N-heterocyclic olefins: a computational study. Chemistry Select, v. 2, p. 4648-4654, 2017Tradução . . Disponível em: https://doi.org/10.1002/slct.201700727. Acesso em: 12 nov. 2024.

    • APA

      Batista, A. P. de L., Oliveira Filho, A. G. S. de, & Galembeck, S. E. (2017). CO2 sequestration by triazolylidene-derived N-heterocyclic olefins: a computational study. Chemistry Select, 2, 4648-4654. doi:10.1002/slct.201700727

    • NLM

      Batista AP de L, Oliveira Filho AGS de, Galembeck SE. CO2 sequestration by triazolylidene-derived N-heterocyclic olefins: a computational study [Internet]. Chemistry Select. 2017 ; 2 4648-4654.[citado 2024 nov. 12 ] Available from: https://doi.org/10.1002/slct.201700727

    • Vancouver

      Batista AP de L, Oliveira Filho AGS de, Galembeck SE. CO2 sequestration by triazolylidene-derived N-heterocyclic olefins: a computational study [Internet]. Chemistry Select. 2017 ; 2 4648-4654.[citado 2024 nov. 12 ] Available from: https://doi.org/10.1002/slct.201700727

  • Artigo de periodico

    Ozone and other 1,3-dipoles: toward a quantitative measure of diradical character (2017)

    Braida, Benoit; Galembeck, Sérgio Emanuel; Hiberty, Philippe C

    Source: Journal of Chemical Theory and Computation. Unidade: FFCLRP

    Subjects: QUÍMICA TEÓRICA, OZÔNIO

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      BRAIDA, Benoit e GALEMBECK, Sérgio Emanuel e HIBERTY, Philippe C. Ozone and other 1,3-dipoles: toward a quantitative measure of diradical character. Journal of Chemical Theory and Computation, v. 13, p. 3328-3235, 2017Tradução . . Disponível em: https://doi.org/10.1021/acs.jctc.7b00399. Acesso em: 12 nov. 2024.

    • APA

      Braida, B., Galembeck, S. E., & Hiberty, P. C. (2017). Ozone and other 1,3-dipoles: toward a quantitative measure of diradical character. Journal of Chemical Theory and Computation, 13, 3328-3235. doi:10.1021/acs.jctc.7b00399

    • NLM

      Braida B, Galembeck SE, Hiberty PC. Ozone and other 1,3-dipoles: toward a quantitative measure of diradical character [Internet]. Journal of Chemical Theory and Computation. 2017 ; 13 3328-3235.[citado 2024 nov. 12 ] Available from: https://doi.org/10.1021/acs.jctc.7b00399

    • Vancouver

      Braida B, Galembeck SE, Hiberty PC. Ozone and other 1,3-dipoles: toward a quantitative measure of diradical character [Internet]. Journal of Chemical Theory and Computation. 2017 ; 13 3328-3235.[citado 2024 nov. 12 ] Available from: https://doi.org/10.1021/acs.jctc.7b00399

  • Trabalho de evento-resumo

    How do computational methods and relativistic effects influence the study of chemiscal reactions involving Ru-No complexes? (2016)

    Orenha, Renato Pereira; Santiago, Regis Tadeu; Haiduke, Roberto Luiz Andrade ; Galembeck, Sérgio Emanuel

    Source: Book of Abstracts. Conference titles: Brazilian Meeting on Inorganic Chemistry - BMIC. Unidades: IQSC, FFCLRP

    Subjects: QUÍMICA QUÂNTICA, ESTRUTURA ATÔMICA (QUÍMICA TEÓRICA)

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    • ABNT

      ORENHA, Renato Pereira et al. How do computational methods and relativistic effects influence the study of chemiscal reactions involving Ru-No complexes? 2016, Anais.. São Paulo: Sociedade Brasileira de Química - SBQ, 2016. Disponível em: http://bmic2016.iqm.unicamp.br. Acesso em: 12 nov. 2024.

    • APA

      Orenha, R. P., Santiago, R. T., Haiduke, R. L. A., & Galembeck, S. E. (2016). How do computational methods and relativistic effects influence the study of chemiscal reactions involving Ru-No complexes? In Book of Abstracts. São Paulo: Sociedade Brasileira de Química - SBQ. Recuperado de http://bmic2016.iqm.unicamp.br

    • NLM

      Orenha RP, Santiago RT, Haiduke RLA, Galembeck SE. How do computational methods and relativistic effects influence the study of chemiscal reactions involving Ru-No complexes? [Internet]. Book of Abstracts. 2016 ;[citado 2024 nov. 12 ] Available from: http://bmic2016.iqm.unicamp.br

    • Vancouver

      Orenha RP, Santiago RT, Haiduke RLA, Galembeck SE. How do computational methods and relativistic effects influence the study of chemiscal reactions involving Ru-No complexes? [Internet]. Book of Abstracts. 2016 ;[citado 2024 nov. 12 ] Available from: http://bmic2016.iqm.unicamp.br

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