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Artigo de periodico
Computer simulations of deep eutectic solvents: challenges, solutions, and perspectives (2022)
Tolmachev, Dmitry ; Lukasheva, Natalia; Ramazanov, Ruslan; Nazarychev, Victor ; Borzdun, Natalia ; Volgin, Igor ; Andreeva, Maria; Glova, Artyom; Melnikova, Sofia; Dobrovskiy, Alexey; Silber, Steven A; Larin, Sergey ; Souza, Rafael Maglia de ; Ribeiro, Mauro Carlos Costa ; Lyulin, Sergey ; Karttunen, Mikko
Source: International Journal of Molecular Sciences. Unidade: IQ
Subjects: SOLVENTE, MECÂNICA QUÂNTICA, SIMULAÇÃO
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ABNT
TOLMACHEV, Dmitry et al. Computer simulations of deep eutectic solvents: challenges, solutions, and perspectives. International Journal of Molecular Sciences, v. 23, p. 1-68 art. 645, 2022Tradução . . Disponível em: https://doi.org/10.3390/ijms23020645. Acesso em: 09 jun. 2024.
APA
Tolmachev, D., Lukasheva, N., Ramazanov, R., Nazarychev, V., Borzdun, N., Volgin, I., et al. (2022). Computer simulations of deep eutectic solvents: challenges, solutions, and perspectives. International Journal of Molecular Sciences, 23, 1-68 art. 645. doi:10.3390/ijms23020645
NLM
Tolmachev D, Lukasheva N, Ramazanov R, Nazarychev V, Borzdun N, Volgin I, Andreeva M, Glova A, Melnikova S, Dobrovskiy A, Silber SA, Larin S, Souza RM de, Ribeiro MCC, Lyulin S, Karttunen M. Computer simulations of deep eutectic solvents: challenges, solutions, and perspectives [Internet]. International Journal of Molecular Sciences. 2022 ; 23 1-68 art. 645.[citado 2024 jun. 09 ] Available from: https://doi.org/10.3390/ijms23020645
Vancouver
Tolmachev D, Lukasheva N, Ramazanov R, Nazarychev V, Borzdun N, Volgin I, Andreeva M, Glova A, Melnikova S, Dobrovskiy A, Silber SA, Larin S, Souza RM de, Ribeiro MCC, Lyulin S, Karttunen M. Computer simulations of deep eutectic solvents: challenges, solutions, and perspectives [Internet]. International Journal of Molecular Sciences. 2022 ; 23 1-68 art. 645.[citado 2024 jun. 09 ] Available from: https://doi.org/10.3390/ijms23020645
Artigo de periodico
Strengthening cellulose nanopaper via deep eutectic solvent and ultrasound-induced surface disordering of nanofibers (2022)
Batishcheva, Elizaveta; Sokolova, Darya N; Fedotova, Veronika S; Sokolova, Maria P; Nikolaeva, Alexandra L; Vakulyuk, Alexey Y; Shakhbazova, Christina Y; Ribeiro, Mauro Carlos Costa ; Karttunen, Mikko; Smirnov, Michael A
Source: Polymers. Unidade: IQ
Subjects: MATERIAIS NANOESTRUTURADOS, CELULOSE, SOLVENTE
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ABNT
BATISHCHEVA, Elizaveta et al. Strengthening cellulose nanopaper via deep eutectic solvent and ultrasound-induced surface disordering of nanofibers. Polymers, v. 14, n. 1, p. 1-18, 2022Tradução . . Disponível em: https://doi.org/10.3390/polym14010078. Acesso em: 09 jun. 2024.
APA
Batishcheva, E., Sokolova, D. N., Fedotova, V. S., Sokolova, M. P., Nikolaeva, A. L., Vakulyuk, A. Y., et al. (2022). Strengthening cellulose nanopaper via deep eutectic solvent and ultrasound-induced surface disordering of nanofibers. Polymers, 14( 1), 1-18. doi:10.3390/polym14010078
NLM
Batishcheva E, Sokolova DN, Fedotova VS, Sokolova MP, Nikolaeva AL, Vakulyuk AY, Shakhbazova CY, Ribeiro MCC, Karttunen M, Smirnov MA. Strengthening cellulose nanopaper via deep eutectic solvent and ultrasound-induced surface disordering of nanofibers [Internet]. Polymers. 2022 ; 14( 1): 1-18.[citado 2024 jun. 09 ] Available from: https://doi.org/10.3390/polym14010078
Vancouver
Batishcheva E, Sokolova DN, Fedotova VS, Sokolova MP, Nikolaeva AL, Vakulyuk AY, Shakhbazova CY, Ribeiro MCC, Karttunen M, Smirnov MA. Strengthening cellulose nanopaper via deep eutectic solvent and ultrasound-induced surface disordering of nanofibers [Internet]. Polymers. 2022 ; 14( 1): 1-18.[citado 2024 jun. 09 ] Available from: https://doi.org/10.3390/polym14010078
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: 09 jun. 2024.
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 2024 jun. 09 ] 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 2024 jun. 09 ] Available from: https://doi.org/10.1021/acs.jctc.2c00109
Artigo de periodico
Fine tuning the polarizable CL&Pol force field for the deep eutectic solvent ethaline (2021)
Souza, Rafael Maglia de ; Karttunen, Mikko ; Ribeiro, Mauro Carlos Costa
Source: Journal of Chemical Information Modeling. Unidade: IQ
Subjects: SOLVENTE, LÍQUIDOS IÔNICOS
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ABNT
SOUZA, Rafael Maglia de e KARTTUNEN, Mikko e RIBEIRO, Mauro Carlos Costa. Fine tuning the polarizable CL&Pol force field for the deep eutectic solvent ethaline. Journal of Chemical Information Modeling, v. 61, p. 5938−5947, 2021Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.1c01181. Acesso em: 09 jun. 2024.
APA
Souza, R. M. de, Karttunen, M., & Ribeiro, M. C. C. (2021). Fine tuning the polarizable CL&Pol force field for the deep eutectic solvent ethaline. Journal of Chemical Information Modeling, 61, 5938−5947. doi:10.1021/acs.jcim.1c01181
NLM
Souza RM de, Karttunen M, Ribeiro MCC. Fine tuning the polarizable CL&Pol force field for the deep eutectic solvent ethaline [Internet]. Journal of Chemical Information Modeling. 2021 ; 61 5938−5947.[citado 2024 jun. 09 ] Available from: https://doi.org/10.1021/acs.jcim.1c01181
Vancouver
Souza RM de, Karttunen M, Ribeiro MCC. Fine tuning the polarizable CL&Pol force field for the deep eutectic solvent ethaline [Internet]. Journal of Chemical Information Modeling. 2021 ; 61 5938−5947.[citado 2024 jun. 09 ] Available from: https://doi.org/10.1021/acs.jcim.1c01181
Artigo de periodico
Development of coarse-grained force field to investigate sodium-ion transport mechanisms in cyanoborate-based ionic liquid (2021)
Souza, Rafael Maglia de ; Lourenço, Tuanan da Costa ; Siqueira, Leonardo José Amaral de; Karttunen, Mikko; Silva, Juarez Lopes Ferreira da ; Dias, Luis Gustavo
Source: Journal of Molecular Liquids. Unidades: IQSC, FFCLRP
Subjects: ELETRÓLITOS, LÍQUIDOS IÔNICOS
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ABNT
SOUZA, Rafael Maglia de et al. Development of coarse-grained force field to investigate sodium-ion transport mechanisms in cyanoborate-based ionic liquid. Journal of Molecular Liquids, v. 338, p. 116648, 2021Tradução . . Disponível em: https://doi.org/10.1016/j.molliq.2021.116648. Acesso em: 09 jun. 2024.
APA
Souza, R. M. de, Lourenço, T. da C., Siqueira, L. J. A. de, Karttunen, M., Silva, J. L. F. da, & Dias, L. G. (2021). Development of coarse-grained force field to investigate sodium-ion transport mechanisms in cyanoborate-based ionic liquid. Journal of Molecular Liquids, 338, 116648. doi:10.1016/j.molliq.2021.116648
NLM
Souza RM de, Lourenço T da C, Siqueira LJA de, Karttunen M, Silva JLF da, Dias LG. Development of coarse-grained force field to investigate sodium-ion transport mechanisms in cyanoborate-based ionic liquid [Internet]. Journal of Molecular Liquids. 2021 ; 338 116648.[citado 2024 jun. 09 ] Available from: https://doi.org/10.1016/j.molliq.2021.116648
Vancouver
Souza RM de, Lourenço T da C, Siqueira LJA de, Karttunen M, Silva JLF da, Dias LG. Development of coarse-grained force field to investigate sodium-ion transport mechanisms in cyanoborate-based ionic liquid [Internet]. Journal of Molecular Liquids. 2021 ; 338 116648.[citado 2024 jun. 09 ] Available from: https://doi.org/10.1016/j.molliq.2021.116648
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: 09 jun. 2024.
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 2024 jun. 09 ] 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 2024 jun. 09 ] 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: 09 jun. 2024.
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 2024 jun. 09 ] 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 2024 jun. 09 ] Available from: https://doi.org/10.1021/acs.jcim.9b00790

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