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  • In: The Journal of Physical Chemistry A. Unidade: FFCLRP

    Subjects: Espectrometria, Química Quântica

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    • ABNT

      TEODORO, Tiago Quevedo; KOENIS, M. A. J.; RÜGER, R.; et al. Use of density functional based tight binding methods in vibrational circular dichroism. The Journal of Physical Chemistry A, Washington, v. 122, n. 49, p. 9435-9445, 2018. Disponível em: < http://dx.doi.org/10.1021/acs.jpca.8b08218 > DOI: 10.1021/acs.jpca.8b08218.
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      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.Available from: http://dx.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.Available from: http://dx.doi.org/10.1021/acs.jpca.8b08218
  • In: Physical Chemistry Chemical Physics. Unidade: FFCLRP

    Subjects: Química Orgânica, Rutênio, óxido Nítrico

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      ORENHA, Renato Pereira; TFOUNI, Elia; GALEMBECK, Sérgio Emanuel. How does the total charge and isomerism influence the Ru–NO ammine complexes? Physical Chemistry Chemical Physics, Cambridge, v. 20, n. 19, p. 13348-13356, 2018. Disponível em: < http://dx.doi.org/10.1039/c8cp00865e > DOI: 10.1039/c8cp00865e.
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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
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      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.Available from: http://dx.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.Available from: http://dx.doi.org/10.1039/c8cp00865e
  • In: Structural Chemistry. Unidade: FFCLRP

    Subjects: Química Orgânica, Modelagem Molecular

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      ORENHA, Renato Pereira; VESSECCHI, Ricardo; 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, Deerfield Beach, v. 29, n. 3, p. 847-857, 2018. Disponível em: < http://dx.doi.org/10.1007/s11224-017-1070-4 > DOI: 10.1007/s11224-017-1070-4.
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      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.Available from: http://dx.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.Available from: http://dx.doi.org/10.1007/s11224-017-1070-4
  • In: The Journal of Physical Chemistry Letters. Unidade: FFCLRP

    Subjects: Espectrometria, Físico-química

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    • ABNT

      TEODORO, Tiago Quevedo; KOENIS, M. A. J.; GALEMBECK, Sérgio Emanuel; et al. Frequency range selection method for vibrational spectra. The Journal of Physical Chemistry Letters, Washington, v. 9, n. 23, p. 6878-6882, 2018. Disponível em: < http://dx.doi.org/10.1021/acs.jpclett.8b02963 > DOI: 10.1021/acs.jpclett.8b02963.
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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.Available from: http://dx.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.Available from: http://dx.doi.org/10.1021/acs.jpclett.8b02963
  • In: Chemistry Open. Unidade: FFCLRP

    Subjects: óxido Nítrico, Rutênio, Ligações Químicas, Química Quântica

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    • ABNT

      ORENHA, Renato P.; ROCHA, Marcus V. J.; POATR, Jordi; GALEMBECK, Sérgio Emanuel; BICKELHAUPT, F. Mathias. Nature of the Ru-No coordination bond: Kohn-Sham molecular orbital and energy decomposition analysis. Chemistry Open, Weinheim, v. 6, p. 410-416, 2017. Disponível em: < http://dx.doi.org/10.1002/open.201700028 > DOI: 10.1002/open.201700028.
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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
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      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.Available from: http://dx.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.Available from: http://dx.doi.org/10.1002/open.201700028
  • In: Organometallics. Unidade: FFCLRP

    Subjects: Hidrocarbonetos, Rutênio, Ligantes

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      GALEMBECK, Sérgio Emanuel; CARAMORI, Giovanni F.; MISTURINI, Alechania; GARCIA, Leone C.; ORENHA, Renato P. Metal–ligand bonding situation in ruthenophanes containing multibridged cyclophanes. Organometallics, Washington, v. 36, n. 18, p. 3465-3470, 2017. Disponível em: < http://dx.doi.org/10.1021/acs.organomet.7b00393 > DOI: 10.1021/acs.organomet.7b00393.
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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
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      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.Available from: http://dx.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.Available from: http://dx.doi.org/10.1021/acs.organomet.7b00393
  • In: Resumos. Conference title: Simpósio Brasileiro de Química Teórica/SBQT. Unidades: IQ, FFCLRP

    Subjects: Espectroscopia

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      BORIN, Antonio Carlos; ARAÚJO, Adalberto Vasconcelos Sanches de; GALEMBECK, Sérgio Emanuel. Structure and spectroscopy of 1-deazaadenine-Ag-thymine: a metal mediated base-pair. Anais.. São Paulo: IF/USP, 2017.
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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.
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      Borin AC, Araújo AVS de, Galembeck SE. Structure and spectroscopy of 1-deazaadenine-Ag-thymine: a metal mediated base-pair. Resumos. 2017 ;
    • Vancouver

      Borin AC, Araújo AVS de, Galembeck SE. Structure and spectroscopy of 1-deazaadenine-Ag-thymine: a metal mediated base-pair. Resumos. 2017 ;
  • In: ACS Omega. Unidade: FFCLRP

    Subjects: Dióxido De Carbono, Hidrocarbonos, Química Quântica

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      BATISTA, Ana Paula de Lima; OLIVEIRA FILHO, Antonio Gustavo Sampaio de; GALEMBECK, Sérgio Emanuel. Computationally designed 1,2,4-triazolylidene-derived N-heterocyclic olefins for CO2 capture, activation, and storage. ACS Omega, Washington, v. 2, p. 299-307, 2017. Disponível em: < http://dx.doi.org/10.1021/acsomega.6b00411 > DOI: 10.1021/acsomega.6b00411.
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      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.Available from: http://dx.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.Available from: http://dx.doi.org/10.1021/acsomega.6b00411
  • In: Physical Chemistry Chemical Physics - PCCP. Unidade: FFCLRP

    Subjects: óxido Nítrico, Rutênio, Química Quântica, Fotoquímica

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      BATISTA, Ana P. de Lima; OLIVEIRA FILHO, Antonio Gustavo Sampaio de; 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, Cambridge, v. 19, n. 21, p. 13860-13867, 2017. Disponível em: < http://dx.doi.org/10.1039/c7cp01642e > DOI: 10.1039/c7cp01642e.
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      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.Available from: http://dx.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.Available from: http://dx.doi.org/10.1039/c7cp01642e
  • In: Journal of computational chemistry. Unidades: IQSC, FFCLRP

    Subjects: Reações Químicas

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      ORENHA, Renato Pereira; SANTIAGO, Regis Tadeu; HAIDUKE, Roberto Luiz Andrade; GALEMBECK, Sérgio Emanuel. How computational methods and relativistic effects influence the study of chemical reactions involving Ru-NO complexes? Journal of computational chemistry, Hoboken, Wiley, v. 38, p. 883-891, 2017. Disponível em: < http://dx.doi.org/10.1002/jcc.24762 > DOI: 10.1002/jcc.24762.
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      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.Available from: http://dx.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.Available from: http://dx.doi.org/10.1002/jcc.24762
  • In: Chemistry Select. Unidade: FFCLRP

    Subjects: Dióxido De Carbono, Química Quântica, Hidrocarbonos

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      BATISTA, Ana P. de Lima; OLIVEIRA FILHO, Antonio Gustavo Sampaio de; GALEMBECK, Sérgio Emanuel. CO2 sequestration by triazolylidene-derived N-heterocyclic olefins: a computational study. Chemistry Select, Weinheim, v. 2, p. 4648-4654, 2017. Disponível em: < http://dx.doi.org/10.1002/slct.201700727 > DOI: 10.1002/slct.201700727.
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      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.Available from: http://dx.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.Available from: http://dx.doi.org/10.1002/slct.201700727
  • In: Journal of Photochemistry and Photobiology A: Chemistry. Unidade: FFCLRP

    Subjects: Corantes Fluorescentes, Luz, Espectroscopia

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      SILVA, Érika R.; PAVANELLI, André L. S.; MOSTAÇO, Leila B.; et al. Phototransformation of cyanine dye with two chromophores: effects of oxygen and dye concentration. Journal of Photochemistry and Photobiology A: Chemistry, Lausanne, v. 349, p. 42-48, 2017. Disponível em: < http://dx.doi.org/10.1016/j.jphotochem.2017.08.063 > DOI: 10.1016/j.jphotochem.2017.08.063.
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      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.Available from: http://dx.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.Available from: http://dx.doi.org/10.1016/j.jphotochem.2017.08.063
  • In: Journal of Chemical Theory and Computation. Unidade: FFCLRP

    Subjects: Química Teórica, Ozônio

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      BRAIDA, Benoit; GALEMBECK, Sérgio Emanuel; HIBERTY, Philippe C. Ozone and other 1,3-dipoles: toward a quantitative measure of diradical character. Journal of Chemical Theory and Computation, Washington, v. 13, p. 3328-3235, 2017. Disponível em: < http://dx.doi.org/10.1021/acs.jctc.7b00399 > DOI: 10.1021/acs.jctc.7b00399.
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      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
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      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.Available from: http://dx.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.Available from: http://dx.doi.org/10.1021/acs.jctc.7b00399
  • In: Book of Abstracts. Conference title: Brazilian Meeting on Inorganic Chemistry - BMIC. Unidades: IQSC, FFCLRP

    Subjects: Química Quântica, Estrutura Atômica (química Teórica)

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      ORENHA, Renato Pereira; SANTIAGO, Regis Tadeu; HAIDUKE, Roberto Luiz Andrade; GALEMBECK, Sérgio Emanuel. How do computational methods and relativistic effects influence the study of chemiscal reactions involving Ru-No complexes? Anais.. São Paulo: Sociedade Brasileira de Química - SBQ, 2016.Disponível em: .
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      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
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      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 ;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 ;Available from: http://bmic2016.iqm.unicamp.br
  • In: Structural Chemistry. Unidade: FFCLRP

    Subjects: Estrutura Química, Estrutura Molecular (química Teórica), Termoquímica

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      ORENHA, Renato Pereira; VESSECCHI, Ricardo; GALEMBECK, Sergio Emanuel. The resonance of cation and anion radicals with multiple conjugated bonds. Structural Chemistry, New York, v. 26, n. 2, p. 365-373, 2015. Disponível em: < http://dx.doi.org/10.1007/s11224-014-0490-7 > DOI: 10.1007/s11224-014-0490-7.
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      Orenha, R. P., Vessecchi, R., & Galembeck, S. E. (2015). The resonance of cation and anion radicals with multiple conjugated bonds. Structural Chemistry, 26( 2), 365-373. doi:10.1007/s11224-014-0490-7
    • NLM

      Orenha RP, Vessecchi R, Galembeck SE. The resonance of cation and anion radicals with multiple conjugated bonds [Internet]. Structural Chemistry. 2015 ; 26( 2): 365-373.Available from: http://dx.doi.org/10.1007/s11224-014-0490-7
    • Vancouver

      Orenha RP, Vessecchi R, Galembeck SE. The resonance of cation and anion radicals with multiple conjugated bonds [Internet]. Structural Chemistry. 2015 ; 26( 2): 365-373.Available from: http://dx.doi.org/10.1007/s11224-014-0490-7
  • In: Spectrochimica Acta Part A: molecular and biomolecular spectroscopy. Unidade: FFCLRP

    Subjects: Espectroscopia Por Absorção Eletrônica, água

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      OLIVIER, Danilo da Silva; ITO, Amando Siuiti; GALEMBECK, Sérgio Emanuel. Microhydration effects on geometric properties and electronic absorption spectra of ortho-aminobenzoic acid. Spectrochimica Acta Part A: molecular and biomolecular spectroscopy, Amsterdam, v. 147, p. 328-333, 2015. Disponível em: < http://dx.doi.org/10.1016/j.saa.2015.03.108 > DOI: 10.1016/j.saa.2015.03.108.
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      Olivier, D. da S., Ito, A. S., & Galembeck, S. E. (2015). Microhydration effects on geometric properties and electronic absorption spectra of ortho-aminobenzoic acid. Spectrochimica Acta Part A: molecular and biomolecular spectroscopy, 147, 328-333. doi:10.1016/j.saa.2015.03.108
    • NLM

      Olivier D da S, Ito AS, Galembeck SE. Microhydration effects on geometric properties and electronic absorption spectra of ortho-aminobenzoic acid [Internet]. Spectrochimica Acta Part A: molecular and biomolecular spectroscopy. 2015 ; 147 328-333.Available from: http://dx.doi.org/10.1016/j.saa.2015.03.108
    • Vancouver

      Olivier D da S, Ito AS, Galembeck SE. Microhydration effects on geometric properties and electronic absorption spectra of ortho-aminobenzoic acid [Internet]. Spectrochimica Acta Part A: molecular and biomolecular spectroscopy. 2015 ; 147 328-333.Available from: http://dx.doi.org/10.1016/j.saa.2015.03.108
  • In: Resumos. Conference title: Reunião Anual da Sociedade Brasileira de Química (RASBQ). Unidade: FFCLRP

    Subjects: Clusters, Estrutura Eletrônica

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      ARAÚJO, Diógenes M.; GALEMBECK, Sérgio Emanuel. Estrutura eletrônica dos clusters Al- 13 , Al13 e Al+ 13 por DFT. Anais.. Natal: SBQ, 2014.Disponível em: .
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      Araújo, D. M., & Galembeck, S. E. (2014). Estrutura eletrônica dos clusters Al- 13 , Al13 e Al+ 13 por DFT. In Resumos. Natal: SBQ. Recuperado de http://www.sbq.org.br/37ra/cdrom/resumos/T1203-1.pdf
    • NLM

      Araújo DM, Galembeck SE. Estrutura eletrônica dos clusters Al- 13 , Al13 e Al+ 13 por DFT [Internet]. Resumos. 2014 ;Available from: http://www.sbq.org.br/37ra/cdrom/resumos/T1203-1.pdf
    • Vancouver

      Araújo DM, Galembeck SE. Estrutura eletrônica dos clusters Al- 13 , Al13 e Al+ 13 por DFT [Internet]. Resumos. 2014 ;Available from: http://www.sbq.org.br/37ra/cdrom/resumos/T1203-1.pdf
  • In: Journal of Chemical Education. Unidade: FFCLRP

    Subjects: óxido Nítrico, Orbital Molecular, Computação Quântica

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    • ABNT

      ORENHA, Renato P.; GALEMBECK, Sergio Emanuel. Molecular orbitals of NO, N'O POT.+', and N'O POT.-': a computational quantum chemistry experiment. Journal of Chemical Education, Washington, v. 91, n. 7, p. 1064-1069, 2014. Disponível em: < http://dx.doi.org/10.1021/ed400618j > DOI: 10.1021/ed400618j.
    • APA

      Orenha, R. P., & Galembeck, S. E. (2014). Molecular orbitals of NO, N'O POT.+', and N'O POT.-': a computational quantum chemistry experiment. Journal of Chemical Education, 91( 7), 1064-1069. doi:10.1021/ed400618j
    • NLM

      Orenha RP, Galembeck SE. Molecular orbitals of NO, N'O POT.+', and N'O POT.-': a computational quantum chemistry experiment [Internet]. Journal of Chemical Education. 2014 ; 91( 7): 1064-1069.Available from: http://dx.doi.org/10.1021/ed400618j
    • Vancouver

      Orenha RP, Galembeck SE. Molecular orbitals of NO, N'O POT.+', and N'O POT.-': a computational quantum chemistry experiment [Internet]. Journal of Chemical Education. 2014 ; 91( 7): 1064-1069.Available from: http://dx.doi.org/10.1021/ed400618j
  • In: Journal of Molecular Modeling. Unidade: FFCLRP

    Subjects: Síndrome De Imunodeficiência Adquirida, Hiv

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    • ABNT

      GALEMBECK, Sergio Emanuel; BICKELHAUPT, F. Matthias; GUERRA, Célia Fonseca; GALEMBECK, Eduardo. 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, Heidelberg, v. 20, n. 7, p. 2332-1-2332-11, 2014. Disponível em: < http://dx.doi.org/10.1007/s00894-014-2332-3 > DOI: 10.1007/s00894-014-2332-3.
    • 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.Available from: http://dx.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.Available from: http://dx.doi.org/10.1007/s00894-014-2332-3
  • In: Structural Chemistry. Unidade: FFCLRP

    Subjects: Ligações Químicas, Estrutura Molecular (química Teórica), Compostos Orgânicos

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    • ABNT

      ORENHA, Renato P.; GALEMBECK, Sérgio Emanuel; PARREIRA, Renato L. T. Resonance in compounds with multiple conjugated bonds. Structural Chemistry, New York, v. 24, n. 4, p. 1153-1162, 2013. Disponível em: < http://dx.doi.org/10.1007/s11224-012-0138-4 > DOI: 10.1007/s11224-012-0138-4.
    • APA

      Orenha, R. P., Galembeck, S. E., & Parreira, R. L. T. (2013). Resonance in compounds with multiple conjugated bonds. Structural Chemistry, 24( 4), 1153-1162. doi:10.1007/s11224-012-0138-4
    • NLM

      Orenha RP, Galembeck SE, Parreira RLT. Resonance in compounds with multiple conjugated bonds [Internet]. Structural Chemistry. 2013 ; 24( 4): 1153-1162.Available from: http://dx.doi.org/10.1007/s11224-012-0138-4
    • Vancouver

      Orenha RP, Galembeck SE, Parreira RLT. Resonance in compounds with multiple conjugated bonds [Internet]. Structural Chemistry. 2013 ; 24( 4): 1153-1162.Available from: http://dx.doi.org/10.1007/s11224-012-0138-4


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