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  • Source: Journal of Physical Chemistry A. Unidade: IQSC

    Subjects: AMINOÁCIDOS, RESÍDUOS

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      NUÑEZ-REYES, Dianailys et al. Tunneling Enhancement of the Gas-Phase CH + CO2 Reaction at Low Temperature. Journal of Physical Chemistry A, v. 124, n. 51, p. 10717–10725, 2020Tradução . . Disponível em: https://doi.org/10.1021/acs.jpca.0c08070. Acesso em: 10 nov. 2024.
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      Nuñez-Reyes, D., Hickson, K. M., Loison, J. -C., Spada, R. F. K., Vichietti, R. M., Machado, F. B. C., & Haiduke, R. L. A. (2020). Tunneling Enhancement of the Gas-Phase CH + CO2 Reaction at Low Temperature. Journal of Physical Chemistry A, 124( 51), 10717–10725. doi:10.1021/acs.jpca.0c08070
    • NLM

      Nuñez-Reyes D, Hickson KM, Loison J-C, Spada RFK, Vichietti RM, Machado FBC, Haiduke RLA. Tunneling Enhancement of the Gas-Phase CH + CO2 Reaction at Low Temperature [Internet]. Journal of Physical Chemistry A. 2020 ; 124( 51): 10717–10725.[citado 2024 nov. 10 ] Available from: https://doi.org/10.1021/acs.jpca.0c08070
    • Vancouver

      Nuñez-Reyes D, Hickson KM, Loison J-C, Spada RFK, Vichietti RM, Machado FBC, Haiduke RLA. Tunneling Enhancement of the Gas-Phase CH + CO2 Reaction at Low Temperature [Internet]. Journal of Physical Chemistry A. 2020 ; 124( 51): 10717–10725.[citado 2024 nov. 10 ] Available from: https://doi.org/10.1021/acs.jpca.0c08070
  • Source: Journal of Physical Chemistry A. Unidades: IQSC, ICMC

    Assunto: QUÍMICA QUÂNTICA

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      PINHEIRO, Gabriel A. et al. Machine Learning Prediction of Nine Molecular Properties Based on the SMILES Representation of the QM9 Quantum-Chemistry Dataset. Journal of Physical Chemistry A, v. No 2020, n. 47, p. 9854–9866, 2020Tradução . . Disponível em: https://doi.org/10.1021/acs.jpca.0c05969. Acesso em: 10 nov. 2024.
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      Pinheiro, G. A., Mucelini, J., Soares, M. D., Prati, R. C., Silva, J. L. F. da, & Quiles, M. G. (2020). Machine Learning Prediction of Nine Molecular Properties Based on the SMILES Representation of the QM9 Quantum-Chemistry Dataset. Journal of Physical Chemistry A, No 2020( 47), 9854–9866. doi:10.1021/acs.jpca.0c05969
    • NLM

      Pinheiro GA, Mucelini J, Soares MD, Prati RC, Silva JLF da, Quiles MG. Machine Learning Prediction of Nine Molecular Properties Based on the SMILES Representation of the QM9 Quantum-Chemistry Dataset [Internet]. Journal of Physical Chemistry A. 2020 ; No 2020( 47): 9854–9866.[citado 2024 nov. 10 ] Available from: https://doi.org/10.1021/acs.jpca.0c05969
    • Vancouver

      Pinheiro GA, Mucelini J, Soares MD, Prati RC, Silva JLF da, Quiles MG. Machine Learning Prediction of Nine Molecular Properties Based on the SMILES Representation of the QM9 Quantum-Chemistry Dataset [Internet]. Journal of Physical Chemistry A. 2020 ; No 2020( 47): 9854–9866.[citado 2024 nov. 10 ] Available from: https://doi.org/10.1021/acs.jpca.0c05969
  • Source: Journal of Physical Chemistry A. Unidade: IQSC

    Subjects: QUÍMICA TEÓRICA, MOLÉCULA

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      TERRABUIO, Luiz Alberto et al. Nonnuclear attractors in heteronuclear diatomic systems. Journal of Physical Chemistry A, v. 120, p. 1168-1174, 2016Tradução . . Disponível em: https://doi.org/10.1021/acs.jpca.5b10888. Acesso em: 10 nov. 2024.
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      Terrabuio, L. A., Teodoro, T. Q., Matta, C. F., & Haiduke, R. L. A. (2016). Nonnuclear attractors in heteronuclear diatomic systems. Journal of Physical Chemistry A, 120, 1168-1174. doi:10.1021/acs.jpca.5b10888
    • NLM

      Terrabuio LA, Teodoro TQ, Matta CF, Haiduke RLA. Nonnuclear attractors in heteronuclear diatomic systems [Internet]. Journal of Physical Chemistry A. 2016 ; 120 1168-1174.[citado 2024 nov. 10 ] Available from: https://doi.org/10.1021/acs.jpca.5b10888
    • Vancouver

      Terrabuio LA, Teodoro TQ, Matta CF, Haiduke RLA. Nonnuclear attractors in heteronuclear diatomic systems [Internet]. Journal of Physical Chemistry A. 2016 ; 120 1168-1174.[citado 2024 nov. 10 ] Available from: https://doi.org/10.1021/acs.jpca.5b10888
  • Source: Journal of Physical Chemistry A. Unidades: IQSC, IFSC

    Subjects: MATERIAIS ÓPTICOS, OURO

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      LANGARO, Ana P. et al. Uncommon and emissive {[Au2(C3H6NS2)2][Au(C3H6NS2)2]2(PF6)2} mixed Au+ and Au3+ pseudotetranuclear crystalline compound: synthesis, structural characterization, and optical properties. Journal of Physical Chemistry A, v. No 2016, n. 46, p. 9249-9256, 2016Tradução . . Disponível em: https://doi.org/10.1021/acs.jpca.6b08158. Acesso em: 10 nov. 2024.
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      Langaro, A. P., Souza, A. K. R., Morassuti, C. Y., Lima, S. M., Casagrande, G. A., Deflon, V. M., et al. (2016). Uncommon and emissive {[Au2(C3H6NS2)2][Au(C3H6NS2)2]2(PF6)2} mixed Au+ and Au3+ pseudotetranuclear crystalline compound: synthesis, structural characterization, and optical properties. Journal of Physical Chemistry A, No 2016( 46), 9249-9256. doi:10.1021/acs.jpca.6b08158
    • NLM

      Langaro AP, Souza AKR, Morassuti CY, Lima SM, Casagrande GA, Deflon VM, Nunes LA de O, Andrade LH da C. Uncommon and emissive {[Au2(C3H6NS2)2][Au(C3H6NS2)2]2(PF6)2} mixed Au+ and Au3+ pseudotetranuclear crystalline compound: synthesis, structural characterization, and optical properties [Internet]. Journal of Physical Chemistry A. 2016 ; No 2016( 46): 9249-9256.[citado 2024 nov. 10 ] Available from: https://doi.org/10.1021/acs.jpca.6b08158
    • Vancouver

      Langaro AP, Souza AKR, Morassuti CY, Lima SM, Casagrande GA, Deflon VM, Nunes LA de O, Andrade LH da C. Uncommon and emissive {[Au2(C3H6NS2)2][Au(C3H6NS2)2]2(PF6)2} mixed Au+ and Au3+ pseudotetranuclear crystalline compound: synthesis, structural characterization, and optical properties [Internet]. Journal of Physical Chemistry A. 2016 ; No 2016( 46): 9249-9256.[citado 2024 nov. 10 ] Available from: https://doi.org/10.1021/acs.jpca.6b08158
  • Source: Journal of Physical Chemistry A. Unidade: IQSC

    Assunto: ELEMENTOS DE TRANSIÇÃO

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      ZIBORDI-BESSE, Larissa et al. Ethanol and water adsorption on transition-metal 13-atom clusters: a density functional theory investigation within van der Waals corrections. Journal of Physical Chemistry A, v. 120, n. 24, p. 4231-4240, 2016Tradução . . Disponível em: https://doi.org/10.1021/acs.jpca.6b03467. Acesso em: 10 nov. 2024.
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      Zibordi-Besse, L., Tereshchuk, P., Chaves, A. S., & Silva, J. L. F. da. (2016). Ethanol and water adsorption on transition-metal 13-atom clusters: a density functional theory investigation within van der Waals corrections. Journal of Physical Chemistry A, 120( 24), 4231-4240. doi:10.1021/acs.jpca.6b03467
    • NLM

      Zibordi-Besse L, Tereshchuk P, Chaves AS, Silva JLF da. Ethanol and water adsorption on transition-metal 13-atom clusters: a density functional theory investigation within van der Waals corrections [Internet]. Journal of Physical Chemistry A. 2016 ;120( 24): 4231-4240.[citado 2024 nov. 10 ] Available from: https://doi.org/10.1021/acs.jpca.6b03467
    • Vancouver

      Zibordi-Besse L, Tereshchuk P, Chaves AS, Silva JLF da. Ethanol and water adsorption on transition-metal 13-atom clusters: a density functional theory investigation within van der Waals corrections [Internet]. Journal of Physical Chemistry A. 2016 ;120( 24): 4231-4240.[citado 2024 nov. 10 ] Available from: https://doi.org/10.1021/acs.jpca.6b03467
  • Source: Journal of Physical Chemistry A. Unidade: IQSC

    Assunto: QUÍMICA QUÂNTICA

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      CHAVES, Anderson Silva et al. Theoretical investigation of the adsorption properties of CO, NO, and OH on monometallic and bimetallic 13-atom clusters: the example of Cu13, Pt7Cu6, and Pt13. Journal of Physical Chemistry A, v. 119, n. 47, p. 11565-11573, 2015Tradução . . Disponível em: https://doi.org/10.1021/acs.jpca.5b08330. Acesso em: 10 nov. 2024.
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      Chaves, A. S., Piotrowski, M. J., Guedes Sobrinho, D., & Silva, J. L. F. da. (2015). Theoretical investigation of the adsorption properties of CO, NO, and OH on monometallic and bimetallic 13-atom clusters: the example of Cu13, Pt7Cu6, and Pt13. Journal of Physical Chemistry A, 119( 47), 11565-11573. doi:10.1021/acs.jpca.5b08330
    • NLM

      Chaves AS, Piotrowski MJ, Guedes Sobrinho D, Silva JLF da. Theoretical investigation of the adsorption properties of CO, NO, and OH on monometallic and bimetallic 13-atom clusters: the example of Cu13, Pt7Cu6, and Pt13 [Internet]. Journal of Physical Chemistry A. 2015 ; 119( 47): 11565-11573.[citado 2024 nov. 10 ] Available from: https://doi.org/10.1021/acs.jpca.5b08330
    • Vancouver

      Chaves AS, Piotrowski MJ, Guedes Sobrinho D, Silva JLF da. Theoretical investigation of the adsorption properties of CO, NO, and OH on monometallic and bimetallic 13-atom clusters: the example of Cu13, Pt7Cu6, and Pt13 [Internet]. Journal of Physical Chemistry A. 2015 ; 119( 47): 11565-11573.[citado 2024 nov. 10 ] Available from: https://doi.org/10.1021/acs.jpca.5b08330
  • Source: Journal of Physical Chemistry A. Unidade: IQSC

    Assunto: FÍSICO-QUÍMICA

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      CHAVES, Anderson Silva et al. The Role of Charge States in the Atomic Structure of Cun and Ptn (n = 2–14 atoms) Clusters: A DFT Investigation. Journal of Physical Chemistry A, v. 118, n. 45, p. 10813-10821, 2014Tradução . . Disponível em: https://doi.org/10.1021/jp508220h. Acesso em: 10 nov. 2024.
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      Chaves, A. S., Rondina, G. G., Piotrowski, M. J., Tereshchuk, P., & Silva, J. L. F. da. (2014). The Role of Charge States in the Atomic Structure of Cun and Ptn (n = 2–14 atoms) Clusters: A DFT Investigation. Journal of Physical Chemistry A, 118( 45), 10813-10821. doi:10.1021/jp508220h
    • NLM

      Chaves AS, Rondina GG, Piotrowski MJ, Tereshchuk P, Silva JLF da. The Role of Charge States in the Atomic Structure of Cun and Ptn (n = 2–14 atoms) Clusters: A DFT Investigation [Internet]. Journal of Physical Chemistry A. 2014 ; 118( 45): 10813-10821.[citado 2024 nov. 10 ] Available from: https://doi.org/10.1021/jp508220h
    • Vancouver

      Chaves AS, Rondina GG, Piotrowski MJ, Tereshchuk P, Silva JLF da. The Role of Charge States in the Atomic Structure of Cun and Ptn (n = 2–14 atoms) Clusters: A DFT Investigation [Internet]. Journal of Physical Chemistry A. 2014 ; 118( 45): 10813-10821.[citado 2024 nov. 10 ] Available from: https://doi.org/10.1021/jp508220h
  • Source: Journal of Physical Chemistry A. Unidade: IQSC

    Assunto: ELETROQUÍMICA

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      TERRABUIO, Luiz Alberto et al. Systematic theoretical study of non-nuclear electron density maxima in some diatomic molecules. Journal of Physical Chemistry A, v. 117, n. 40, p. 10489-10496, 2013Tradução . . Disponível em: http://pubs.acs.org/doi/10.1021/jp406992q. Acesso em: 10 nov. 2024.
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      Terrabuio, L. A., Teodoro, T. Q., Rachid, M. G., & Haiduke, R. L. A. (2013). Systematic theoretical study of non-nuclear electron density maxima in some diatomic molecules. Journal of Physical Chemistry A, 117( 40), 10489-10496. doi:10.1021/jp406992q
    • NLM

      Terrabuio LA, Teodoro TQ, Rachid MG, Haiduke RLA. Systematic theoretical study of non-nuclear electron density maxima in some diatomic molecules [Internet]. Journal of Physical Chemistry A. 2013 ; 117( 40): 10489-10496.[citado 2024 nov. 10 ] Available from: http://pubs.acs.org/doi/10.1021/jp406992q
    • Vancouver

      Terrabuio LA, Teodoro TQ, Rachid MG, Haiduke RLA. Systematic theoretical study of non-nuclear electron density maxima in some diatomic molecules [Internet]. Journal of Physical Chemistry A. 2013 ; 117( 40): 10489-10496.[citado 2024 nov. 10 ] Available from: http://pubs.acs.org/doi/10.1021/jp406992q
  • Source: Journal of Physical Chemistry A. Unidade: IQSC

    Assunto: ELETROQUÍMICA

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      SILVA, Arnaldo Ferreira da et al. QTAIM charge - charge flux - dipole flux interpretation of electronegativity and potential models of the fluorochloromethane mean dipole moment derivatives. Journal of Physical Chemistry A, v. 115, n. 45, p. 12572-12581, 2011Tradução . . Disponível em: http://pubs.acs.org/doi/pdfplus/10.1021/jp202929s. Acesso em: 10 nov. 2024.
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      Silva, A. F. da, Silva Junior, J. V. da, Haiduke, R. L. A., & Bruns, R. E. (2011). QTAIM charge - charge flux - dipole flux interpretation of electronegativity and potential models of the fluorochloromethane mean dipole moment derivatives. Journal of Physical Chemistry A, 115( 45), 12572-12581. doi:10.1021/jp202929s
    • NLM

      Silva AF da, Silva Junior JV da, Haiduke RLA, Bruns RE. QTAIM charge - charge flux - dipole flux interpretation of electronegativity and potential models of the fluorochloromethane mean dipole moment derivatives [Internet]. Journal of Physical Chemistry A. 2011 ; 115( 45): 12572-12581.[citado 2024 nov. 10 ] Available from: http://pubs.acs.org/doi/pdfplus/10.1021/jp202929s
    • Vancouver

      Silva AF da, Silva Junior JV da, Haiduke RLA, Bruns RE. QTAIM charge - charge flux - dipole flux interpretation of electronegativity and potential models of the fluorochloromethane mean dipole moment derivatives [Internet]. Journal of Physical Chemistry A. 2011 ; 115( 45): 12572-12581.[citado 2024 nov. 10 ] Available from: http://pubs.acs.org/doi/pdfplus/10.1021/jp202929s
  • Source: Journal of Physical Chemistry A. Unidades: IQSC, IFSC

    Subjects: DINÂMICA, POLÍMEROS (MATERIAIS)

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      SIMAS, Emanuelle R. et al. Intrachain energy migration to weak charge-transfer state in polyfluorene end-capped with naphthalimide derivative. Journal of Physical Chemistry A, v. 114, n. 47, p. 12384-12390, 2010Tradução . . Disponível em: https://doi.org/10.1021/jp108168f. Acesso em: 10 nov. 2024.
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      Simas, E. R., Gehlen, M. H., Pinto, M. F. S., Siqueira, J., & Misoguti, L. (2010). Intrachain energy migration to weak charge-transfer state in polyfluorene end-capped with naphthalimide derivative. Journal of Physical Chemistry A, 114( 47), 12384-12390. doi:10.1021/jp108168f
    • NLM

      Simas ER, Gehlen MH, Pinto MFS, Siqueira J, Misoguti L. Intrachain energy migration to weak charge-transfer state in polyfluorene end-capped with naphthalimide derivative [Internet]. Journal of Physical Chemistry A. 2010 ; 114( 47): 12384-12390.[citado 2024 nov. 10 ] Available from: https://doi.org/10.1021/jp108168f
    • Vancouver

      Simas ER, Gehlen MH, Pinto MFS, Siqueira J, Misoguti L. Intrachain energy migration to weak charge-transfer state in polyfluorene end-capped with naphthalimide derivative [Internet]. Journal of Physical Chemistry A. 2010 ; 114( 47): 12384-12390.[citado 2024 nov. 10 ] Available from: https://doi.org/10.1021/jp108168f
  • Source: Journal of Physical Chemistry A. Unidade: IQSC

    Assunto: QUÍMICA TEÓRICA

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      RODRIGUES, Eduardo F F e SÁ, Eduardo Lemos de e HAIDUKE, Roberto Luiz Andrade. Investigating the nature of noble gas-copper bonds by the quantum theory of atoms in molecules. Journal of Physical Chemistry A, v. 114, n. 15, p. 5222-5229, 2010Tradução . . Disponível em: http://pubs.acs.org/doi/pdf/10.1021/jp1011439. Acesso em: 10 nov. 2024.
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      Rodrigues, E. F. F., Sá, E. L. de, & Haiduke, R. L. A. (2010). Investigating the nature of noble gas-copper bonds by the quantum theory of atoms in molecules. Journal of Physical Chemistry A, 114( 15), 5222-5229. Recuperado de http://pubs.acs.org/doi/pdf/10.1021/jp1011439
    • NLM

      Rodrigues EFF, Sá EL de, Haiduke RLA. Investigating the nature of noble gas-copper bonds by the quantum theory of atoms in molecules [Internet]. Journal of Physical Chemistry A. 2010 ; 114( 15): 5222-5229.[citado 2024 nov. 10 ] Available from: http://pubs.acs.org/doi/pdf/10.1021/jp1011439
    • Vancouver

      Rodrigues EFF, Sá EL de, Haiduke RLA. Investigating the nature of noble gas-copper bonds by the quantum theory of atoms in molecules [Internet]. Journal of Physical Chemistry A. 2010 ; 114( 15): 5222-5229.[citado 2024 nov. 10 ] Available from: http://pubs.acs.org/doi/pdf/10.1021/jp1011439
  • Source: Journal of Physical Chemistry A. Unidade: IQSC

    Assunto: ELETROQUÍMICA

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      NOGUEIRA, Paulo A. e OLIVEIRA, Hyrla C. L. e VARELA, Hamilton. Time evolution of the activation energy in a batch chemical oscillator. Journal of Physical Chemistry A, v. 112, n. 20, p. 12412-12415, 2008Tradução . . Disponível em: http://pubs.acs.org/doi/pdf/10.1021/jp808901r. Acesso em: 10 nov. 2024.
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      Nogueira, P. A., Oliveira, H. C. L., & Varela, H. (2008). Time evolution of the activation energy in a batch chemical oscillator. Journal of Physical Chemistry A, 112( 20), 12412-12415. Recuperado de http://pubs.acs.org/doi/pdf/10.1021/jp808901r
    • NLM

      Nogueira PA, Oliveira HCL, Varela H. Time evolution of the activation energy in a batch chemical oscillator [Internet]. Journal of Physical Chemistry A. 2008 ; 112( 20): 12412-12415.[citado 2024 nov. 10 ] Available from: http://pubs.acs.org/doi/pdf/10.1021/jp808901r
    • Vancouver

      Nogueira PA, Oliveira HCL, Varela H. Time evolution of the activation energy in a batch chemical oscillator [Internet]. Journal of Physical Chemistry A. 2008 ; 112( 20): 12412-12415.[citado 2024 nov. 10 ] Available from: http://pubs.acs.org/doi/pdf/10.1021/jp808901r
  • Source: Journal of Physical Chemistry A. Unidade: IQSC

    Subjects: POLÍMEROS (QUÍMICA ORGÂNICA), QUITOSANA

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      PAWLICKA, Agnieszka et al. Influence of plasticizer type on the properties of polymer electrolytes based on chitosan. Journal of Physical Chemistry A, v. 112, n. 38, p. 8888-8895, 2008Tradução . . Disponível em: http://pubs.acs.org/cgi-bin/article.cgi/jpcafh/2008/112/i38/pdf/jp801573h.pdf. Acesso em: 10 nov. 2024.
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      Pawlicka, A., Danczuk, M., Wieczorek, W., & Zygadto-Monikowska, E. (2008). Influence of plasticizer type on the properties of polymer electrolytes based on chitosan. Journal of Physical Chemistry A, 112( 38), 8888-8895. Recuperado de http://pubs.acs.org/cgi-bin/article.cgi/jpcafh/2008/112/i38/pdf/jp801573h.pdf
    • NLM

      Pawlicka A, Danczuk M, Wieczorek W, Zygadto-Monikowska E. Influence of plasticizer type on the properties of polymer electrolytes based on chitosan [Internet]. Journal of Physical Chemistry A. 2008 ; 112( 38): 8888-8895.[citado 2024 nov. 10 ] Available from: http://pubs.acs.org/cgi-bin/article.cgi/jpcafh/2008/112/i38/pdf/jp801573h.pdf
    • Vancouver

      Pawlicka A, Danczuk M, Wieczorek W, Zygadto-Monikowska E. Influence of plasticizer type on the properties of polymer electrolytes based on chitosan [Internet]. Journal of Physical Chemistry A. 2008 ; 112( 38): 8888-8895.[citado 2024 nov. 10 ] Available from: http://pubs.acs.org/cgi-bin/article.cgi/jpcafh/2008/112/i38/pdf/jp801573h.pdf
  • Source: Journal of Physical Chemistry A. Unidade: IQSC

    Subjects: FOTOQUÍMICA, FÍSICO-QUÍMICA

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      PEREIRA, Robson Valentim e GEHLEN, Marcelo Henrique. Photoinduced intramolecular charge transfer in 9-aminoacridinium derivatives assisted by intramolecular H-Bond. Journal of Physical Chemistry A, v. 110, n. 24, p. 7539-7546, 2006Tradução . . Disponível em: http://pubs.acs.org/cgi-bin/article.cgi/jpcafh/2006/110/i24/pdf/jp0561470.pdf. Acesso em: 10 nov. 2024.
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      Pereira, R. V., & Gehlen, M. H. (2006). Photoinduced intramolecular charge transfer in 9-aminoacridinium derivatives assisted by intramolecular H-Bond. Journal of Physical Chemistry A, 110( 24), 7539-7546. Recuperado de http://pubs.acs.org/cgi-bin/article.cgi/jpcafh/2006/110/i24/pdf/jp0561470.pdf
    • NLM

      Pereira RV, Gehlen MH. Photoinduced intramolecular charge transfer in 9-aminoacridinium derivatives assisted by intramolecular H-Bond [Internet]. Journal of Physical Chemistry A. 2006 ; 110( 24): 7539-7546.[citado 2024 nov. 10 ] Available from: http://pubs.acs.org/cgi-bin/article.cgi/jpcafh/2006/110/i24/pdf/jp0561470.pdf
    • Vancouver

      Pereira RV, Gehlen MH. Photoinduced intramolecular charge transfer in 9-aminoacridinium derivatives assisted by intramolecular H-Bond [Internet]. Journal of Physical Chemistry A. 2006 ; 110( 24): 7539-7546.[citado 2024 nov. 10 ] Available from: http://pubs.acs.org/cgi-bin/article.cgi/jpcafh/2006/110/i24/pdf/jp0561470.pdf

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