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Artigo de periodico
Structural investigation of protic ionic liquid electrolytes with sodium salt using polarizable force fields (2025)
Lourenço, Tuanan da Costa ; Zaby, Paul; Dias, Luis Gustavo ; Silva, Juarez Lopes Ferreira da ; Kirchner, Barbara
Source: Journal of Molecular Liquids. Unidades: FFCLRP, IQSC
Subjects: LÍQUIDOS IÔNICOS, SÓDIO
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ABNT
LOURENÇO, Tuanan da Costa et al. Structural investigation of protic ionic liquid electrolytes with sodium salt using polarizable force fields. Journal of Molecular Liquids, v. 428, p. 127496, 2025Tradução . . Disponível em: https://doi.org/10.1016/j.molliq.2025.127496. Acesso em: 27 nov. 2025.
APA
Lourenço, T. da C., Zaby, P., Dias, L. G., Silva, J. L. F. da, & Kirchner, B. (2025). Structural investigation of protic ionic liquid electrolytes with sodium salt using polarizable force fields. Journal of Molecular Liquids, 428, 127496. doi:10.1016/j.molliq.2025.127496
NLM
Lourenço T da C, Zaby P, Dias LG, Silva JLF da, Kirchner B. Structural investigation of protic ionic liquid electrolytes with sodium salt using polarizable force fields [Internet]. Journal of Molecular Liquids. 2025 ;428 127496.[citado 2025 nov. 27 ] Available from: https://doi.org/10.1016/j.molliq.2025.127496
Vancouver
Lourenço T da C, Zaby P, Dias LG, Silva JLF da, Kirchner B. Structural investigation of protic ionic liquid electrolytes with sodium salt using polarizable force fields [Internet]. Journal of Molecular Liquids. 2025 ;428 127496.[citado 2025 nov. 27 ] Available from: https://doi.org/10.1016/j.molliq.2025.127496
Trabalho de evento-resumo
Impacto do tamanho da caixa em dinâmica molecular de solventes eutéticos profundos NaTFSI:NMA (2025)
Azevedo, Giovanna G.; Moreira, Luana Schneider; Dias, Luis G. ; Silva, Juarez Lopes Ferreira da
Source: Resumos. Conference titles: Simpósio Internacional de Iniciação Científica e Tecnológica da Universidade de São Paulo - SIICUSP. Unidades: FFCLRP, IQSC, IFSC
Subjects: SOLVENTE, QUÍMICA TEÓRICA
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ABNT
AZEVEDO, Giovanna G. et al. Impacto do tamanho da caixa em dinâmica molecular de solventes eutéticos profundos NaTFSI:NMA. 2025, Anais.. São Paulo: Universidade de São Paulo, 2025. Disponível em: https://uspdigital.usp.br/siicusp/siicPublicacao.jsp?codmnu=721. Acesso em: 27 nov. 2025.
APA
Azevedo, G. G., Moreira, L. S., Dias, L. G., & Silva, J. L. F. da. (2025). Impacto do tamanho da caixa em dinâmica molecular de solventes eutéticos profundos NaTFSI:NMA. In Resumos. São Paulo: Universidade de São Paulo. Recuperado de https://uspdigital.usp.br/siicusp/siicPublicacao.jsp?codmnu=721
NLM
Azevedo GG, Moreira LS, Dias LG, Silva JLF da. Impacto do tamanho da caixa em dinâmica molecular de solventes eutéticos profundos NaTFSI:NMA [Internet]. Resumos. 2025 ;[citado 2025 nov. 27 ] Available from: https://uspdigital.usp.br/siicusp/siicPublicacao.jsp?codmnu=721
Vancouver
Azevedo GG, Moreira LS, Dias LG, Silva JLF da. Impacto do tamanho da caixa em dinâmica molecular de solventes eutéticos profundos NaTFSI:NMA [Internet]. Resumos. 2025 ;[citado 2025 nov. 27 ] Available from: https://uspdigital.usp.br/siicusp/siicPublicacao.jsp?codmnu=721
Artigo de periodico
On the Na+ transport and electrochemical stability window in NaTFSI: NMA deep eutectic solvent (2024)
Fiates, Juliane ; Bittencourt, Albert F. B ; Lourenço, Tuanan da Costa ; Dias, Luis G; Silva, Juarez Lopes Ferreira da
Source: Journal of Molecular Liquids. Unidades: FFCLRP, IQSC
Subjects: SOLVENTE, ELETROQUÍMICA
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ABNT
FIATES, Juliane et al. On the Na+ transport and electrochemical stability window in NaTFSI: NMA deep eutectic solvent. Journal of Molecular Liquids, v. 395, p. 123930, 2024Tradução . . Disponível em: https://doi.org/10.1016/j.molliq.2023.123930. Acesso em: 27 nov. 2025.
APA
Fiates, J., Bittencourt, A. F. B., Lourenço, T. da C., Dias, L. G., & Silva, J. L. F. da. (2024). On the Na+ transport and electrochemical stability window in NaTFSI: NMA deep eutectic solvent. Journal of Molecular Liquids, 395, 123930. doi:10.1016/j.molliq.2023.123930
NLM
Fiates J, Bittencourt AFB, Lourenço T da C, Dias LG, Silva JLF da. On the Na+ transport and electrochemical stability window in NaTFSI: NMA deep eutectic solvent [Internet]. Journal of Molecular Liquids. 2024 ;395 123930.[citado 2025 nov. 27 ] Available from: https://doi.org/10.1016/j.molliq.2023.123930
Vancouver
Fiates J, Bittencourt AFB, Lourenço T da C, Dias LG, Silva JLF da. On the Na+ transport and electrochemical stability window in NaTFSI: NMA deep eutectic solvent [Internet]. Journal of Molecular Liquids. 2024 ;395 123930.[citado 2025 nov. 27 ] Available from: https://doi.org/10.1016/j.molliq.2023.123930
Artigo de periodico
Fluoroalkoxyaluminate-based ionic liquids as electrolytes for sodium-ion batteries (2023)
Fiates, Juliane; Ratochinski, Rafael Henrique; Lourenço, Tuanan da Costa ; Silva, Juarez Lopes Ferreira da ; Dias, Luis Gustavo
Source: Journal of Molecular Liquids. Unidades: IQSC, FFCLRP, FCFRP
Assunto: ELETRÓLITOS
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ABNT
FIATES, Juliane et al. Fluoroalkoxyaluminate-based ionic liquids as electrolytes for sodium-ion batteries. Journal of Molecular Liquids, v. 369, p. 120919, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.molliq.2022.120919. Acesso em: 27 nov. 2025.
APA
Fiates, J., Ratochinski, R. H., Lourenço, T. da C., Silva, J. L. F. da, & Dias, L. G. (2023). Fluoroalkoxyaluminate-based ionic liquids as electrolytes for sodium-ion batteries. Journal of Molecular Liquids, 369, 120919. doi:10.1016/j.molliq.2022.120919
NLM
Fiates J, Ratochinski RH, Lourenço T da C, Silva JLF da, Dias LG. Fluoroalkoxyaluminate-based ionic liquids as electrolytes for sodium-ion batteries [Internet]. Journal of Molecular Liquids. 2023 ;369 120919.[citado 2025 nov. 27 ] Available from: https://doi.org/10.1016/j.molliq.2022.120919
Vancouver
Fiates J, Ratochinski RH, Lourenço T da C, Silva JLF da, Dias LG. Fluoroalkoxyaluminate-based ionic liquids as electrolytes for sodium-ion batteries [Internet]. Journal of Molecular Liquids. 2023 ;369 120919.[citado 2025 nov. 27 ] Available from: https://doi.org/10.1016/j.molliq.2022.120919
Artigo de periodico
Sodium-ion electrolytes based on poly-ethylene oxide oligomers in dual-carbon cells: Anion size drives the charging behavior (2023)
Mendes, Rodrigo A.; Dias, Luis G. ; Silva, Juarez Lopes Ferreira da ; Siqueira, Leonardo J.A.
Source: Nano Energy. Unidades: FFCLRP, IQSC
Subjects: SÓDIO, ELETROQUÍMICA
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ABNT
MENDES, Rodrigo A. et al. Sodium-ion electrolytes based on poly-ethylene oxide oligomers in dual-carbon cells: Anion size drives the charging behavior. Nano Energy, v. 118, p. 108957, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.nanoen.2023.108957. Acesso em: 27 nov. 2025.
APA
Mendes, R. A., Dias, L. G., Silva, J. L. F. da, & Siqueira, L. J. A. (2023). Sodium-ion electrolytes based on poly-ethylene oxide oligomers in dual-carbon cells: Anion size drives the charging behavior. Nano Energy, 118, 108957. doi:10.1016/j.nanoen.2023.108957
NLM
Mendes RA, Dias LG, Silva JLF da, Siqueira LJA. Sodium-ion electrolytes based on poly-ethylene oxide oligomers in dual-carbon cells: Anion size drives the charging behavior [Internet]. Nano Energy. 2023 ;118 108957.[citado 2025 nov. 27 ] Available from: https://doi.org/10.1016/j.nanoen.2023.108957
Vancouver
Mendes RA, Dias LG, Silva JLF da, Siqueira LJA. Sodium-ion electrolytes based on poly-ethylene oxide oligomers in dual-carbon cells: Anion size drives the charging behavior [Internet]. Nano Energy. 2023 ;118 108957.[citado 2025 nov. 27 ] Available from: https://doi.org/10.1016/j.nanoen.2023.108957
Artigo de periodico
Unveiling the mutual ion-storage mechanism of dual-carbon NaTFSI-WiSE Cells: A molecular dynamics study (2023)
Mendes, Rodrigo A.; Dias, Luis G. ; Silva, Juarez Lopes Ferreira da ; Siqueira, Leonardo J.A.
Source: Carbon. Unidades: FFCLRP, IQSC
Subjects: ÍONS, CARBONO, ELETROQUÍMICA
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ABNT
MENDES, Rodrigo A. et al. Unveiling the mutual ion-storage mechanism of dual-carbon NaTFSI-WiSE Cells: A molecular dynamics study. Carbon, v. 205, p. 383-393, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.carbon.2023.01.017. Acesso em: 27 nov. 2025.
APA
Mendes, R. A., Dias, L. G., Silva, J. L. F. da, & Siqueira, L. J. A. (2023). Unveiling the mutual ion-storage mechanism of dual-carbon NaTFSI-WiSE Cells: A molecular dynamics study. Carbon, 205, 383-393. doi:10.1016/j.carbon.2023.01.017
NLM
Mendes RA, Dias LG, Silva JLF da, Siqueira LJA. Unveiling the mutual ion-storage mechanism of dual-carbon NaTFSI-WiSE Cells: A molecular dynamics study [Internet]. Carbon. 2023 ;205 383-393.[citado 2025 nov. 27 ] Available from: https://doi.org/10.1016/j.carbon.2023.01.017
Vancouver
Mendes RA, Dias LG, Silva JLF da, Siqueira LJA. Unveiling the mutual ion-storage mechanism of dual-carbon NaTFSI-WiSE Cells: A molecular dynamics study [Internet]. Carbon. 2023 ;205 383-393.[citado 2025 nov. 27 ] Available from: https://doi.org/10.1016/j.carbon.2023.01.017
Artigo de periodico
Identification of sodiation mechanisms in graphite-based negative electrodes by molecular dynamics simulations combined with potential of mean force (2023)
Lourenço, Tuanan da Costa ; Siqueira, Leonardo J.A.; Dias, Luis Gustavo ; Silva, Juarez Lopes Ferreira da
Source: Electrochimica Acta. Unidades: FFCLRP, IQSC
Subjects: LÍQUIDOS IÔNICOS, ELETRÓLITOS, ELETRODO
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ABNT
LOURENÇO, Tuanan da Costa et al. Identification of sodiation mechanisms in graphite-based negative electrodes by molecular dynamics simulations combined with potential of mean force. Electrochimica Acta, v. 468, p. 143149, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.electacta.2023.143149. Acesso em: 27 nov. 2025.
APA
Lourenço, T. da C., Siqueira, L. J. A., Dias, L. G., & Silva, J. L. F. da. (2023). Identification of sodiation mechanisms in graphite-based negative electrodes by molecular dynamics simulations combined with potential of mean force. Electrochimica Acta, 468, 143149. doi:10.1016/j.electacta.2023.143149
NLM
Lourenço T da C, Siqueira LJA, Dias LG, Silva JLF da. Identification of sodiation mechanisms in graphite-based negative electrodes by molecular dynamics simulations combined with potential of mean force [Internet]. Electrochimica Acta. 2023 ;468 143149.[citado 2025 nov. 27 ] Available from: https://doi.org/10.1016/j.electacta.2023.143149
Vancouver
Lourenço T da C, Siqueira LJA, Dias LG, Silva JLF da. Identification of sodiation mechanisms in graphite-based negative electrodes by molecular dynamics simulations combined with potential of mean force [Internet]. Electrochimica Acta. 2023 ;468 143149.[citado 2025 nov. 27 ] Available from: https://doi.org/10.1016/j.electacta.2023.143149
Trabalho de evento-resumo
Materials design for Na-ion batteries based on computational simulations (2023)
Silva, Juarez Lopes Ferreira da ; Lourenço, Tuanan da Costa ; Fiates, Juliane ; Moraes, Alex Silva de; Pinheiro, Gabriel A ; Lopes, Mauro Chierici ; Quiles, Marcos Gonçalves ; Siqueira, Leonardo José Amaral de ; Dias, Luis Gustavo
Conference titles: Brazil MRS Meeting. Unidades: IQSC, FFCLRP
Subjects: BATERIAS ELÉTRICAS, SÓDIO, SIMULAÇÃO, ELETROQUÍMICA
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ABNT
SILVA, Juarez Lopes Ferreira da et al. Materials design for Na-ion batteries based on computational simulations. 2023, Anais.. Rio de Janeiro: Instituto de Química de São Carlos, Universidade de São Paulo, 2023. Disponível em: https://repositorio.usp.br/directbitstream/4a8b5c4b-ab37-4a91-a5f4-e64f091e153a/P20769.pdf. Acesso em: 27 nov. 2025.
APA
Silva, J. L. F. da, Lourenço, T. da C., Fiates, J., Moraes, A. S. de, Pinheiro, G. A., Lopes, M. C., et al. (2023). Materials design for Na-ion batteries based on computational simulations. In . Rio de Janeiro: Instituto de Química de São Carlos, Universidade de São Paulo. Recuperado de https://repositorio.usp.br/directbitstream/4a8b5c4b-ab37-4a91-a5f4-e64f091e153a/P20769.pdf
NLM
Silva JLF da, Lourenço T da C, Fiates J, Moraes AS de, Pinheiro GA, Lopes MC, Quiles MG, Siqueira LJA de, Dias LG. Materials design for Na-ion batteries based on computational simulations [Internet]. 2023 ;[citado 2025 nov. 27 ] Available from: https://repositorio.usp.br/directbitstream/4a8b5c4b-ab37-4a91-a5f4-e64f091e153a/P20769.pdf
Vancouver
Silva JLF da, Lourenço T da C, Fiates J, Moraes AS de, Pinheiro GA, Lopes MC, Quiles MG, Siqueira LJA de, Dias LG. Materials design for Na-ion batteries based on computational simulations [Internet]. 2023 ;[citado 2025 nov. 27 ] Available from: https://repositorio.usp.br/directbitstream/4a8b5c4b-ab37-4a91-a5f4-e64f091e153a/P20769.pdf
Artigo de periodico
Adsorption of Ionic Liquids Forming Species on Ti3C2Tx MXenes Surfaces by First-principle Calculations (2022)
Sampaio, Abner Massari; Silveira, Julian Francisco Rama Vieira ; Dias, Luis G.; Silva, Juarez Lopes Ferreira da ; Siqueira, Leonardo J. A. de
Source: FlatChem. Unidades: FFCLRP, IQSC
Subjects: METAIS, QUÍMICA TEÓRICA
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ABNT
SAMPAIO, Abner Massari et al. Adsorption of Ionic Liquids Forming Species on Ti3C2Tx MXenes Surfaces by First-principle Calculations. FlatChem, p. 100413, 2022Tradução . . Disponível em: https://doi.org/10.1016/j.flatc.2022.100413. Acesso em: 27 nov. 2025.
APA
Sampaio, A. M., Silveira, J. F. R. V., Dias, L. G., Silva, J. L. F. da, & Siqueira, L. J. A. de. (2022). Adsorption of Ionic Liquids Forming Species on Ti3C2Tx MXenes Surfaces by First-principle Calculations. FlatChem, 100413. doi:10.1016/j.flatc.2022.100413
NLM
Sampaio AM, Silveira JFRV, Dias LG, Silva JLF da, Siqueira LJA de. Adsorption of Ionic Liquids Forming Species on Ti3C2Tx MXenes Surfaces by First-principle Calculations [Internet]. FlatChem. 2022 ;100413.[citado 2025 nov. 27 ] Available from: https://doi.org/10.1016/j.flatc.2022.100413
Vancouver
Sampaio AM, Silveira JFRV, Dias LG, Silva JLF da, Siqueira LJA de. Adsorption of Ionic Liquids Forming Species on Ti3C2Tx MXenes Surfaces by First-principle Calculations [Internet]. FlatChem. 2022 ;100413.[citado 2025 nov. 27 ] Available from: https://doi.org/10.1016/j.flatc.2022.100413
Artigo de periodico
Osmotic method for calculating surface pressure of monolayers in molecular dynamics simulations (2022)
Souza, Rafael Maglia de ; Romeu, Fábio Cavalcante; Ribeiro, Mauro Carlos Costa ; Karttunen, Mikko ; Dias, Luis Gustavo
Source: Journal of Chemical Theory and Computation. Unidades: IQ, FFCLRP
Subjects: ADSORÇÃO, SURFACTANTES, TERMODINÂMICA QUÍMICA
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ABNT
SOUZA, Rafael Maglia de et al. Osmotic method for calculating surface pressure of monolayers in molecular dynamics simulations. Journal of Chemical Theory and Computation, v. 18, p. 2042−2046, 2022Tradução . . Disponível em: https://doi.org/10.1021/acs.jctc.2c00109. Acesso em: 27 nov. 2025.
APA
Souza, R. M. de, Romeu, F. C., Ribeiro, M. C. C., Karttunen, M., & Dias, L. G. (2022). Osmotic method for calculating surface pressure of monolayers in molecular dynamics simulations. Journal of Chemical Theory and Computation, 18, 2042−2046. doi:10.1021/acs.jctc.2c00109
NLM
Souza RM de, Romeu FC, Ribeiro MCC, Karttunen M, Dias LG. Osmotic method for calculating surface pressure of monolayers in molecular dynamics simulations [Internet]. Journal of Chemical Theory and Computation. 2022 ; 18 2042−2046.[citado 2025 nov. 27 ] Available from: https://doi.org/10.1021/acs.jctc.2c00109
Vancouver
Souza RM de, Romeu FC, Ribeiro MCC, Karttunen M, Dias LG. Osmotic method for calculating surface pressure of monolayers in molecular dynamics simulations [Internet]. Journal of Chemical Theory and Computation. 2022 ; 18 2042−2046.[citado 2025 nov. 27 ] Available from: https://doi.org/10.1021/acs.jctc.2c00109
Artigo de periodico
Screening of the Role of the Chemical Structure in the Electrochemical Stability Window of Ionic Liquids: DFT Calculations Combined with Data Mining (2022)
Moraes, Alex S.; Pinheiro, Gabriel A.; Lourenço, Tuanan da Costa ; Lopes, Mauro C.; Quiles, Marcos G.; Dias, Luis G. ; Silva, Juarez Lopes Ferreira da
Source: Journal of Chemical Information and Modeling. Unidades: FFCLRP, IQSC
Subjects: ÍONS ELETRÔNICOS, ESTRUTURA ATÔMICA (QUÍMICA TEÓRICA), ENERGIA
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ABNT
MORAES, Alex S. et al. Screening of the Role of the Chemical Structure in the Electrochemical Stability Window of Ionic Liquids: DFT Calculations Combined with Data Mining. Journal of Chemical Information and Modeling, v. 62, n. 19, p. 4702–4712, 2022Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.2c00748. Acesso em: 27 nov. 2025.
APA
Moraes, A. S., Pinheiro, G. A., Lourenço, T. da C., Lopes, M. C., Quiles, M. G., Dias, L. G., & Silva, J. L. F. da. (2022). Screening of the Role of the Chemical Structure in the Electrochemical Stability Window of Ionic Liquids: DFT Calculations Combined with Data Mining. Journal of Chemical Information and Modeling, 62( 19), 4702–4712. doi:10.1021/acs.jcim.2c00748
NLM
Moraes AS, Pinheiro GA, Lourenço T da C, Lopes MC, Quiles MG, Dias LG, Silva JLF da. Screening of the Role of the Chemical Structure in the Electrochemical Stability Window of Ionic Liquids: DFT Calculations Combined with Data Mining [Internet]. Journal of Chemical Information and Modeling. 2022 ; 62( 19): 4702–4712.[citado 2025 nov. 27 ] Available from: https://doi.org/10.1021/acs.jcim.2c00748
Vancouver
Moraes AS, Pinheiro GA, Lourenço T da C, Lopes MC, Quiles MG, Dias LG, Silva JLF da. Screening of the Role of the Chemical Structure in the Electrochemical Stability Window of Ionic Liquids: DFT Calculations Combined with Data Mining [Internet]. Journal of Chemical Information and Modeling. 2022 ; 62( 19): 4702–4712.[citado 2025 nov. 27 ] Available from: https://doi.org/10.1021/acs.jcim.2c00748
Artigo de periodico
Tuning aprotic solvent properties with long alkyl chain ionic liquid for lithium-based electrolytes (2022)
Lourenço, Tuanan da Costa ; Barros, Letícia M. S. ; Anchieta, Chayene G ; Nepel, Thayane C. M. ; Júlio, Júlia Paula de Oliveira ; Dias, Luis Gustavo ; Maciel Filho, Rubens ; Doubek, Gustavo ; Silva, Juarez Lopes Ferreira da
Source: Journal of Materials Chemistry A. Unidades: FFCLRP, IQSC
Subjects: FÍSICO-QUÍMICA, ELETRÓLITOS, LÍTIO
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ABNT
LOURENÇO, Tuanan da Costa et al. Tuning aprotic solvent properties with long alkyl chain ionic liquid for lithium-based electrolytes. Journal of Materials Chemistry A, v. 10, 2022Tradução . . Disponível em: https://doi.org/10.1039/D1TA10592B. Acesso em: 27 nov. 2025.
APA
Lourenço, T. da C., Barros, L. M. S., Anchieta, C. G., Nepel, T. C. M., Júlio, J. P. de O., Dias, L. G., et al. (2022). Tuning aprotic solvent properties with long alkyl chain ionic liquid for lithium-based electrolytes. Journal of Materials Chemistry A, 10. doi:10.1039/D1TA10592B
NLM
Lourenço T da C, Barros LMS, Anchieta CG, Nepel TCM, Júlio JP de O, Dias LG, Maciel Filho R, Doubek G, Silva JLF da. Tuning aprotic solvent properties with long alkyl chain ionic liquid for lithium-based electrolytes [Internet]. Journal of Materials Chemistry A. 2022 ; 10[citado 2025 nov. 27 ] Available from: https://doi.org/10.1039/D1TA10592B
Vancouver
Lourenço T da C, Barros LMS, Anchieta CG, Nepel TCM, Júlio JP de O, Dias LG, Maciel Filho R, Doubek G, Silva JLF da. Tuning aprotic solvent properties with long alkyl chain ionic liquid for lithium-based electrolytes [Internet]. Journal of Materials Chemistry A. 2022 ; 10[citado 2025 nov. 27 ] Available from: https://doi.org/10.1039/D1TA10592B
Artigo de periodico
Computational insights into substituent effects on the stability and reactivity of flavylium cation analogs of anthocyanins (2020)
Freitas, Adilson A; Shimizu, Karina; Dias, Luis Gustavo ; Quina, Frank Herbert
Source: Arkivoc. Unidades: FFCLRP, IQ
Subjects: SAIS, QUÍMICA ORGÂNICA, CONSTANTES QUÍMICAS
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ABNT
FREITAS, Adilson A et al. Computational insights into substituent effects on the stability and reactivity of flavylium cation analogs of anthocyanins. Arkivoc, p. 146-162, 2020Tradução . . Disponível em: https://doi.org/10.24820/ark.5550190.p011.125. Acesso em: 27 nov. 2025.
APA
Freitas, A. A., Shimizu, K., Dias, L. G., & Quina, F. H. (2020). Computational insights into substituent effects on the stability and reactivity of flavylium cation analogs of anthocyanins. Arkivoc, 146-162. doi:10.24820/ark.5550190.p011.125
NLM
Freitas AA, Shimizu K, Dias LG, Quina FH. Computational insights into substituent effects on the stability and reactivity of flavylium cation analogs of anthocyanins [Internet]. Arkivoc. 2020 ; 146-162.[citado 2025 nov. 27 ] Available from: https://doi.org/10.24820/ark.5550190.p011.125
Vancouver
Freitas AA, Shimizu K, Dias LG, Quina FH. Computational insights into substituent effects on the stability and reactivity of flavylium cation analogs of anthocyanins [Internet]. Arkivoc. 2020 ; 146-162.[citado 2025 nov. 27 ] Available from: https://doi.org/10.24820/ark.5550190.p011.125
Artigo de periodico
Molecular dynamics simulations of polymer–ionic liquid (1-ethyl-3-methylimidazolium tetracyanoborate) ternary electrolyte for sodium and potassium ion batteries (2020)
Souza, Rafael Maglia de ; Siqueira, Leonardo José Amaral de; Karttunen, Mikko; Dias, Luis Gustavo
Source: Journal of Chemical Information and Modeling. Unidade: FFCLRP
Subjects: BATERIAS ELÉTRICAS, ENERGIA ELÉTRICA, SÓDIO, POTÁSSIO, ELETROQUÍMICA, SOLUÇÕES ELETROLÍTICAS
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ABNT
SOUZA, Rafael Maglia de et al. Molecular dynamics simulations of polymer–ionic liquid (1-ethyl-3-methylimidazolium tetracyanoborate) ternary electrolyte for sodium and potassium ion batteries. Journal of Chemical Information and Modeling, v. 60, n. 2, p. 485-499, 2020Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.9b00750. Acesso em: 27 nov. 2025.
APA
Souza, R. M. de, Siqueira, L. J. A. de, Karttunen, M., & Dias, L. G. (2020). Molecular dynamics simulations of polymer–ionic liquid (1-ethyl-3-methylimidazolium tetracyanoborate) ternary electrolyte for sodium and potassium ion batteries. Journal of Chemical Information and Modeling, 60( 2), 485-499. doi:10.1021/acs.jcim.9b00750
NLM
Souza RM de, Siqueira LJA de, Karttunen M, Dias LG. Molecular dynamics simulations of polymer–ionic liquid (1-ethyl-3-methylimidazolium tetracyanoborate) ternary electrolyte for sodium and potassium ion batteries [Internet]. Journal of Chemical Information and Modeling. 2020 ; 60( 2): 485-499.[citado 2025 nov. 27 ] Available from: https://doi.org/10.1021/acs.jcim.9b00750
Vancouver
Souza RM de, Siqueira LJA de, Karttunen M, Dias LG. Molecular dynamics simulations of polymer–ionic liquid (1-ethyl-3-methylimidazolium tetracyanoborate) ternary electrolyte for sodium and potassium ion batteries [Internet]. Journal of Chemical Information and Modeling. 2020 ; 60( 2): 485-499.[citado 2025 nov. 27 ] Available from: https://doi.org/10.1021/acs.jcim.9b00750
Artigo de periodico
Self-assembly of phosphocholine derivatives using the ELBA coarse-grained model: micelles, bicelles, and reverse micelles (2020)
Souza, Rafael Maglia de ; Ratochinski, Rafael Henrique; Karttunen, Mikko; Dias, Luis Gustavo
Source: Journal of Chemical Information and Modeling. Unidade: FFCLRP
Subjects: LIPÍDEOS, ELETROSTÁTICA, MOLÉCULA, QUÍMICA
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ABNT
SOUZA, Rafael Maglia de et al. Self-assembly of phosphocholine derivatives using the ELBA coarse-grained model: micelles, bicelles, and reverse micelles. Journal of Chemical Information and Modeling, v. 60, n. 2, p. 522-536, 2020Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.9b00790. Acesso em: 27 nov. 2025.
APA
Souza, R. M. de, Ratochinski, R. H., Karttunen, M., & Dias, L. G. (2020). Self-assembly of phosphocholine derivatives using the ELBA coarse-grained model: micelles, bicelles, and reverse micelles. Journal of Chemical Information and Modeling, 60( 2), 522-536. doi:10.1021/acs.jcim.9b00790
NLM
Souza RM de, Ratochinski RH, Karttunen M, Dias LG. Self-assembly of phosphocholine derivatives using the ELBA coarse-grained model: micelles, bicelles, and reverse micelles [Internet]. Journal of Chemical Information and Modeling. 2020 ; 60( 2): 522-536.[citado 2025 nov. 27 ] Available from: https://doi.org/10.1021/acs.jcim.9b00790
Vancouver
Souza RM de, Ratochinski RH, Karttunen M, Dias LG. Self-assembly of phosphocholine derivatives using the ELBA coarse-grained model: micelles, bicelles, and reverse micelles [Internet]. Journal of Chemical Information and Modeling. 2020 ; 60( 2): 522-536.[citado 2025 nov. 27 ] Available from: https://doi.org/10.1021/acs.jcim.9b00790
Artigo de periodico
Parallel damage in mitochondria and lysosomes is an efficient way to photoinduce cell death (2019)
Martins, Waleska K; Santos, Nayra Fernandes; Rocha, Cleidiane de Sousa; Bacellar, Isabel de Oliveira Lima; Tsubone, Tayana Mazin; Viotto, Ana Cláudia; Matsukuma, Adriana Yamaguti; Abrantes, Aline Bianca de Paiva; Siani, Paulo; Dias, Luis Gustavo ; Baptista, Maurício da Silva
Source: Autophagy. Unidades: IQ, FFCLRP
Subjects: AZUL DE METILENO, MITOCÔNDRIAS, LISOSSOMOS
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ABNT
MARTINS, Waleska K et al. Parallel damage in mitochondria and lysosomes is an efficient way to photoinduce cell death. Autophagy, v. 15, n. 2, p. 259-279, 2019Tradução . . Disponível em: https://doi.org/10.1080/15548627.2018.1515609. Acesso em: 27 nov. 2025.
APA
Martins, W. K., Santos, N. F., Rocha, C. de S., Bacellar, I. de O. L., Tsubone, T. M., Viotto, A. C., et al. (2019). Parallel damage in mitochondria and lysosomes is an efficient way to photoinduce cell death. Autophagy, 15( 2), 259-279. doi:10.1080/15548627.2018.1515609
NLM
Martins WK, Santos NF, Rocha C de S, Bacellar I de OL, Tsubone TM, Viotto AC, Matsukuma AY, Abrantes AB de P, Siani P, Dias LG, Baptista M da S. Parallel damage in mitochondria and lysosomes is an efficient way to photoinduce cell death [Internet]. Autophagy. 2019 ; 15( 2): 259-279.[citado 2025 nov. 27 ] Available from: https://doi.org/10.1080/15548627.2018.1515609
Vancouver
Martins WK, Santos NF, Rocha C de S, Bacellar I de OL, Tsubone TM, Viotto AC, Matsukuma AY, Abrantes AB de P, Siani P, Dias LG, Baptista M da S. Parallel damage in mitochondria and lysosomes is an efficient way to photoinduce cell death [Internet]. Autophagy. 2019 ; 15( 2): 259-279.[citado 2025 nov. 27 ] Available from: https://doi.org/10.1080/15548627.2018.1515609
Artigo de periodico
Myclobutanil enantioselective risk assessment in humans through in vitro CYP450 reactions: metabolism and inhibition studies (2019)
Fonseca, Franciele Saraiva; Carrão, Daniel Blascke ; Albuquerque, Nayara Cristina Perez de ; Takahashi, Viviani Nardini ; Dias, Luís Gustavo ; Silva, Rodrigo Moreira da ; Lopes, Norberto Peporine ; Oliveira, Anderson Rodrigo Moraes de
Source: Food and Chemical Toxicology. Unidades: FCFRP, FFCLRP
Subjects: PESTICIDAS, ANÁLISE TOXICOLÓGICA
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ABNT
FONSECA, Franciele Saraiva et al. Myclobutanil enantioselective risk assessment in humans through in vitro CYP450 reactions: metabolism and inhibition studies. Food and Chemical Toxicology, v. 128, p. 202-211, 2019Tradução . . Disponível em: https://doi.org/10.1016/j.fct.2019.04.009. Acesso em: 27 nov. 2025.
APA
Fonseca, F. S., Carrão, D. B., Albuquerque, N. C. P. de, Takahashi, V. N., Dias, L. G., Silva, R. M. da, et al. (2019). Myclobutanil enantioselective risk assessment in humans through in vitro CYP450 reactions: metabolism and inhibition studies. Food and Chemical Toxicology, 128, 202-211. doi:10.1016/j.fct.2019.04.009
NLM
Fonseca FS, Carrão DB, Albuquerque NCP de, Takahashi VN, Dias LG, Silva RM da, Lopes NP, Oliveira ARM de. Myclobutanil enantioselective risk assessment in humans through in vitro CYP450 reactions: metabolism and inhibition studies [Internet]. Food and Chemical Toxicology. 2019 ; 128 202-211.[citado 2025 nov. 27 ] Available from: https://doi.org/10.1016/j.fct.2019.04.009
Vancouver
Fonseca FS, Carrão DB, Albuquerque NCP de, Takahashi VN, Dias LG, Silva RM da, Lopes NP, Oliveira ARM de. Myclobutanil enantioselective risk assessment in humans through in vitro CYP450 reactions: metabolism and inhibition studies [Internet]. Food and Chemical Toxicology. 2019 ; 128 202-211.[citado 2025 nov. 27 ] Available from: https://doi.org/10.1016/j.fct.2019.04.009
Trabalho de evento-resumo
Multiscale computational screening of sodium-ion batteries materials, from ab initio to continuum calculations (2019)
Lourenço, Tuanan da Costa ; Dias, Luís Gustavo ; Silva, Juarez Lopes Ferreira da
Source: Workshop. Conference titles: Workshop de Pós-Doutorado do IQSC. Unidades: IQSC, IQ
Subjects: BATERIAS ELÉTRICAS, ÍONS, SÓDIO, ENERGIA EÓLICA, ENERGIA SOLAR
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ABNT
LOURENÇO, Tuanan da Costa e DIAS, Luís Gustavo e SILVA, Juarez Lopes Ferreira da. Multiscale computational screening of sodium-ion batteries materials, from ab initio to continuum calculations. 2019, Anais.. São Carlos: IQSC, 2019. Disponível em: https://repositorio.usp.br/directbitstream/7083e4fe-a770-492b-9b3f-de0e51d3cbba/P18433.pdf. Acesso em: 27 nov. 2025.
APA
Lourenço, T. da C., Dias, L. G., & Silva, J. L. F. da. (2019). Multiscale computational screening of sodium-ion batteries materials, from ab initio to continuum calculations. In Workshop. São Carlos: IQSC. Recuperado de https://repositorio.usp.br/directbitstream/7083e4fe-a770-492b-9b3f-de0e51d3cbba/P18433.pdf
NLM
Lourenço T da C, Dias LG, Silva JLF da. Multiscale computational screening of sodium-ion batteries materials, from ab initio to continuum calculations [Internet]. Workshop. 2019 ;[citado 2025 nov. 27 ] Available from: https://repositorio.usp.br/directbitstream/7083e4fe-a770-492b-9b3f-de0e51d3cbba/P18433.pdf
Vancouver
Lourenço T da C, Dias LG, Silva JLF da. Multiscale computational screening of sodium-ion batteries materials, from ab initio to continuum calculations [Internet]. Workshop. 2019 ;[citado 2025 nov. 27 ] Available from: https://repositorio.usp.br/directbitstream/7083e4fe-a770-492b-9b3f-de0e51d3cbba/P18433.pdf
Artigo de periodico
An explanation about the use of (S)-Citronellal as a Chiral Derivatizing Agent (CDA) in 1H and 13C NMR for Sec-Butylamine, Methylbenzylamine, and Amphetamine: a theoretical-experimental study (2019)
Takahashi, Viviani Nardini ; Palaretti, Vinicius; Dias, Luis Gustavo ; Silva, Gil Valdo José da
Source: Molecules. Unidade: FFCLRP
Subjects: ALDEÍDOS, QUÍMICA TEÓRICA, ESPECTROSCOPIA DE RESSONÂNCIA MAGNÉTICA NUCLEAR, ORBITAL MOLECULAR
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ABNT
TAKAHASHI, Viviani Nardini et al. An explanation about the use of (S)-Citronellal as a Chiral Derivatizing Agent (CDA) in 1H and 13C NMR for Sec-Butylamine, Methylbenzylamine, and Amphetamine: a theoretical-experimental study. Molecules, v. 24, n. 15, p. [11] , 2019Tradução . . Disponível em: https://doi.org/10.3390/molecules24152830. Acesso em: 27 nov. 2025.
APA
Takahashi, V. N., Palaretti, V., Dias, L. G., & Silva, G. V. J. da. (2019). An explanation about the use of (S)-Citronellal as a Chiral Derivatizing Agent (CDA) in 1H and 13C NMR for Sec-Butylamine, Methylbenzylamine, and Amphetamine: a theoretical-experimental study. Molecules, 24( 15), [11] . doi:10.3390/molecules24152830
NLM
Takahashi VN, Palaretti V, Dias LG, Silva GVJ da. An explanation about the use of (S)-Citronellal as a Chiral Derivatizing Agent (CDA) in 1H and 13C NMR for Sec-Butylamine, Methylbenzylamine, and Amphetamine: a theoretical-experimental study [Internet]. Molecules. 2019 ; 24( 15): [11] .[citado 2025 nov. 27 ] Available from: https://doi.org/10.3390/molecules24152830
Vancouver
Takahashi VN, Palaretti V, Dias LG, Silva GVJ da. An explanation about the use of (S)-Citronellal as a Chiral Derivatizing Agent (CDA) in 1H and 13C NMR for Sec-Butylamine, Methylbenzylamine, and Amphetamine: a theoretical-experimental study [Internet]. Molecules. 2019 ; 24( 15): [11] .[citado 2025 nov. 27 ] Available from: https://doi.org/10.3390/molecules24152830
Trabalho de evento-resumo
Simulação computacional de micelas reversas via campo de força coarse-grained ELBA (2019)
Ratochinski, Rafael Henrique; Souza, Rafael Maglia de ; Dias, Luís Gustavo
Source: Resumos. Conference titles: Simpósio Internacional de Iniciação Científica e Tecnológica da USP (SIICUSP). Unidade: FFCLRP
Subjects: SIMULAÇÃO, MOLÉCULA, COMPOSTOS ORGÂNICOS
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
RATOCHINSKI, Rafael Henrique e SOUZA, Rafael Maglia de e DIAS, Luís Gustavo. Simulação computacional de micelas reversas via campo de força coarse-grained ELBA. 2019, Anais.. Ribeirão Preto: FFCLRP-USP, 2019. Disponível em: https://uspdigital.usp.br/siicusp/siicPublicacao.jsp?codmnu=7210. Acesso em: 27 nov. 2025.
APA
Ratochinski, R. H., Souza, R. M. de, & Dias, L. G. (2019). Simulação computacional de micelas reversas via campo de força coarse-grained ELBA. In Resumos. Ribeirão Preto: FFCLRP-USP. Recuperado de https://uspdigital.usp.br/siicusp/siicPublicacao.jsp?codmnu=7210
NLM
Ratochinski RH, Souza RM de, Dias LG. Simulação computacional de micelas reversas via campo de força coarse-grained ELBA [Internet]. Resumos. 2019 ;[citado 2025 nov. 27 ] Available from: https://uspdigital.usp.br/siicusp/siicPublicacao.jsp?codmnu=7210
Vancouver
Ratochinski RH, Souza RM de, Dias LG. Simulação computacional de micelas reversas via campo de força coarse-grained ELBA [Internet]. Resumos. 2019 ;[citado 2025 nov. 27 ] Available from: https://uspdigital.usp.br/siicusp/siicPublicacao.jsp?codmnu=7210

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