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Filtros : "GALEMBECK, SERGIO EMANUEL" "Holanda" Removido: "Conference Book" Limpar

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  • 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

    Acesso à fonteDOIHow to cite
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    • ABNT

      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: 28 nov. 2025.

    • 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 2025 nov. 28 ] 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 2025 nov. 28 ] Available from: https://doi.org/10.1021/acs.jpca.8b08218

  • 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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    • ABNT

      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: 28 nov. 2025.

    • APA

      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 2025 nov. 28 ] 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 2025 nov. 28 ] Available from: https://doi.org/10.1021/acs.jpclett.8b02963

  • 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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    • ABNT

      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: 28 nov. 2025.

    • APA

      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 2025 nov. 28 ] 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 2025 nov. 28 ] Available from: https://doi.org/10.1002/open.201700028

  • Artigo de periodico

    Effects of the protonation state in the interaction of an HIV-1 reverse transcriptase (RT) amino acid, Lys101, and a non nucleoside RT inhibitor, GW420867X (2014)

    Galembeck, Sergio Emanuel; Bickelhaupt, F. Matthias; Guerra, Célia Fonseca; Galembeck, Eduardo

    Source: Journal of Molecular Modeling. Unidade: FFCLRP

    Subjects: SÍNDROME DE IMUNODEFICIÊNCIA ADQUIRIDA, HIV

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    • ABNT

      GALEMBECK, Sergio Emanuel et al. Effects of the protonation state in the interaction of an HIV-1 reverse transcriptase (RT) amino acid, Lys101, and a non nucleoside RT inhibitor, GW420867X. Journal of Molecular Modeling, v. 20, n. 7, p. 2332-1-2332-11, 2014Tradução . . Disponível em: https://doi.org/10.1007/s00894-014-2332-3. Acesso em: 28 nov. 2025.

    • APA

      Galembeck, S. E., Bickelhaupt, F. M., Guerra, C. F., & Galembeck, E. (2014). Effects of the protonation state in the interaction of an HIV-1 reverse transcriptase (RT) amino acid, Lys101, and a non nucleoside RT inhibitor, GW420867X. Journal of Molecular Modeling, 20( 7), 2332-1-2332-11. doi:10.1007/s00894-014-2332-3

    • NLM

      Galembeck SE, Bickelhaupt FM, Guerra CF, Galembeck E. Effects of the protonation state in the interaction of an HIV-1 reverse transcriptase (RT) amino acid, Lys101, and a non nucleoside RT inhibitor, GW420867X [Internet]. Journal of Molecular Modeling. 2014 ; 20( 7): 2332-1-2332-11.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1007/s00894-014-2332-3

    • Vancouver

      Galembeck SE, Bickelhaupt FM, Guerra CF, Galembeck E. Effects of the protonation state in the interaction of an HIV-1 reverse transcriptase (RT) amino acid, Lys101, and a non nucleoside RT inhibitor, GW420867X [Internet]. Journal of Molecular Modeling. 2014 ; 20( 7): 2332-1-2332-11.[citado 2025 nov. 28 ] Available from: https://doi.org/10.1007/s00894-014-2332-3
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