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Artigo de periodico
Machine Learning Prediction of Nine Molecular Properties Based on the SMILES Representation of the QM9 Quantum-Chemistry Dataset (2020)
Pinheiro, Gabriel A.; Mucelini, Johnatan ; Soares, Marinalva Dias ; Prati, Ronaldo Cristiano ; Silva, Juarez Lopes Ferreira da ; Quiles, Marcos Gonçalves
Source: Journal of Physical Chemistry A. Unidades: IQSC, ICMC
Assunto: QUÍMICA QUÂNTICA
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ABNT
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.
APA
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
Artigo de periodico
Ethanol and water adsorption on transition-metal 13-atom clusters: a density functional theory investigation within van der Waals corrections (2016)
Zibordi-Besse, Larissa; Tereshchuk, Polina; Chaves, Anderson Silva; Silva, Juarez Lopes Ferreira da
Source: Journal of Physical Chemistry A. Unidade: IQSC
Assunto: ELEMENTOS DE TRANSIÇÃO
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ABNT
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.
APA
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
Artigo de periodico
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 (2015)
Chaves, Anderson Silva; Piotrowski, Maurício Jeomar; Guedes Sobrinho, Diego; Silva, Juarez Lopes Ferreira da
Source: Journal of Physical Chemistry A. Unidade: IQSC
Assunto: QUÍMICA QUÂNTICA
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ABNT
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.
APA
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
Artigo de periodico
The Role of Charge States in the Atomic Structure of Cun and Ptn (n = 2–14 atoms) Clusters: A DFT Investigation (2014)
Chaves, Anderson Silva; Rondina, Gustavo Garcia; Piotrowski, Maurício Jeomar; Tereshchuk, Polina; Silva, Juarez Lopes Ferreira da
Source: Journal of Physical Chemistry A. Unidade: IQSC
Assunto: FÍSICO-QUÍMICA
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ABNT
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.
APA
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
Artigo de periodico
Intrachain energy migration to weak charge-transfer state in polyfluorene end-capped with naphthalimide derivative (2010)
Simas, Emanuelle R.; Gehlen, Marcelo Henrique ; Pinto, Melissa F. S.; Siqueira, Jonathas; Misoguti, Lino
Source: Journal of Physical Chemistry A. Unidades: IQSC, IFSC
Subjects: DINÂMICA, POLÍMEROS (MATERIAIS)
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
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.
APA
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
Artigo de periodico
Time evolution of the activation energy in a batch chemical oscillator (2008)
Nogueira, Paulo A.; Oliveira, Hyrla C. L.; Varela, Hamilton
Source: Journal of Physical Chemistry A. Unidade: IQSC
Assunto: ELETROQUÍMICA
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ABNT
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.
APA
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
Artigo de periodico
Influence of plasticizer type on the properties of polymer electrolytes based on chitosan (2008)
Pawlicka, Agnieszka ; Danczuk, Marins; Wieczorek, Wladystaw; Zygadto-Monikowska, Ewa
Source: Journal of Physical Chemistry A. Unidade: IQSC
Subjects: POLÍMEROS (QUÍMICA ORGÂNICA), QUITOSANA
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ABNT
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.
APA
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
Artigo de periodico
Photoinduced intramolecular charge transfer in 9-aminoacridinium derivatives assisted by intramolecular H-Bond (2006)
Pereira, Robson Valentim; Gehlen, Marcelo Henrique
Source: Journal of Physical Chemistry A. Unidade: IQSC
Subjects: FOTOQUÍMICA, FÍSICO-QUÍMICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
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.
APA
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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