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  • Source: Journal of Chemical Physics. Unidade: IQ

    Subjects: RESSONÂNCIA MAGNÉTICA NUCLEAR, QUÍMICA QUÂNTICA

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      BATISTA, Patrick Rodrigues e DUCATI, Lucas Colucci e AUTSCHBACH, Jochen. Dynamic and relativistic effects on Pt–Pt indirect spin–spin coupling in aqueous solution studied by ab initio molecular dynamics and two- vs four-component density functional NMR calculations. Journal of Chemical Physics, v. 160, p. 1-13 art. 114307, 2024Tradução . . Disponível em: https://dx.doi.org/10.1063/5.0196853. Acesso em: 15 nov. 2024.
    • APA

      Batista, P. R., Ducati, L. C., & Autschbach, J. (2024). Dynamic and relativistic effects on Pt–Pt indirect spin–spin coupling in aqueous solution studied by ab initio molecular dynamics and two- vs four-component density functional NMR calculations. Journal of Chemical Physics, 160, 1-13 art. 114307. doi:10.1063/5.0196853
    • NLM

      Batista PR, Ducati LC, Autschbach J. Dynamic and relativistic effects on Pt–Pt indirect spin–spin coupling in aqueous solution studied by ab initio molecular dynamics and two- vs four-component density functional NMR calculations [Internet]. Journal of Chemical Physics. 2024 ; 160 1-13 art. 114307.[citado 2024 nov. 15 ] Available from: https://dx.doi.org/10.1063/5.0196853
    • Vancouver

      Batista PR, Ducati LC, Autschbach J. Dynamic and relativistic effects on Pt–Pt indirect spin–spin coupling in aqueous solution studied by ab initio molecular dynamics and two- vs four-component density functional NMR calculations [Internet]. Journal of Chemical Physics. 2024 ; 160 1-13 art. 114307.[citado 2024 nov. 15 ] Available from: https://dx.doi.org/10.1063/5.0196853
  • Source: Journal of Chemical Physics. Unidades: IFSC, EESC

    Subjects: SEMICONDUTORES (FÍSICO-QUÍMICA), FILMES FINOS, ESPECTROSCOPIA, POLÍMEROS (MATERIAIS), METAIS

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    • ABNT

      FERREIRA, Claudia Santana Gonçalves et al. On the mechanism for work function change of gold electrodes by ultrathin polyethyleneimine (PEI) films: effect of molecular order. Journal of Chemical Physics, v. No 2024, n. 17, p. 174709 -1-174709-13 + supplementary material, 2024Tradução . . Disponível em: https://doi.org/10.1063/5.0234654. Acesso em: 15 nov. 2024.
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      Ferreira, C. S. G., Sousa, M. da S., Günther, F. S., & Miranda, P. B. (2024). On the mechanism for work function change of gold electrodes by ultrathin polyethyleneimine (PEI) films: effect of molecular order. Journal of Chemical Physics, No 2024( 17), 174709 -1-174709-13 + supplementary material. doi:10.1063/5.0234654
    • NLM

      Ferreira CSG, Sousa M da S, Günther FS, Miranda PB. On the mechanism for work function change of gold electrodes by ultrathin polyethyleneimine (PEI) films: effect of molecular order [Internet]. Journal of Chemical Physics. 2024 ; No 2024( 17): 174709 -1-174709-13 + supplementary material.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1063/5.0234654
    • Vancouver

      Ferreira CSG, Sousa M da S, Günther FS, Miranda PB. On the mechanism for work function change of gold electrodes by ultrathin polyethyleneimine (PEI) films: effect of molecular order [Internet]. Journal of Chemical Physics. 2024 ; No 2024( 17): 174709 -1-174709-13 + supplementary material.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1063/5.0234654
  • Source: Journal of Chemical Physics. Unidade: IF

    Assunto: MECÂNICA QUÂNTICA

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      KIATAKI, Matheus Bacigalupo e COUTINHO, Kaline Rabelo e VARELLA, Márcio Teixeira do Nascimento. Toward a numerically efficient description of bulk-solvated anionic states. Journal of Chemical Physics, v. 161, n. 3, 2024Tradução . . Disponível em: https://doi.org/10.1063/5.0203247. Acesso em: 15 nov. 2024.
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      Kiataki, M. B., Coutinho, K. R., & Varella, M. T. do N. (2024). Toward a numerically efficient description of bulk-solvated anionic states. Journal of Chemical Physics, 161( 3). doi:https://doi.org/10.1063/5.0203247
    • NLM

      Kiataki MB, Coutinho KR, Varella MT do N. Toward a numerically efficient description of bulk-solvated anionic states [Internet]. Journal of Chemical Physics. 2024 ; 161( 3):[citado 2024 nov. 15 ] Available from: https://doi.org/10.1063/5.0203247
    • Vancouver

      Kiataki MB, Coutinho KR, Varella MT do N. Toward a numerically efficient description of bulk-solvated anionic states [Internet]. Journal of Chemical Physics. 2024 ; 161( 3):[citado 2024 nov. 15 ] Available from: https://doi.org/10.1063/5.0203247
  • Source: Journal of Chemical Physics. Unidade: IFSC

    Subjects: ELETROMAGNETISMO, FOTÔNICA, ÓPTICA ELETRÔNICA, POLÍMEROS (MATERIAIS), MATERIAIS NANOESTRUTURADOS

    Disponível em 2025-02-01Acesso à fonteDOIHow to cite
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    • ABNT

      CARVALHO, William Orivaldo Faria e OLIVEIRA JUNIOR, Osvaldo Novais de e MEJÍA-SALAZAR, Jorge Ricardo. Magnetochiroptical nanocavities in hyperbolic metamaterials enable sensing down to the few-molecule level. Journal of Chemical Physics, v. 160, n. 7, p. 071104-1-071104-6, 2024Tradução . . Disponível em: https://doi.org/10.1063/5.0183806. Acesso em: 15 nov. 2024.
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      Carvalho, W. O. F., Oliveira Junior, O. N. de, & Mejía-Salazar, J. R. (2024). Magnetochiroptical nanocavities in hyperbolic metamaterials enable sensing down to the few-molecule level. Journal of Chemical Physics, 160( 7), 071104-1-071104-6. doi:10.1063/5.0183806
    • NLM

      Carvalho WOF, Oliveira Junior ON de, Mejía-Salazar JR. Magnetochiroptical nanocavities in hyperbolic metamaterials enable sensing down to the few-molecule level [Internet]. Journal of Chemical Physics. 2024 ; 160( 7): 071104-1-071104-6.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1063/5.0183806
    • Vancouver

      Carvalho WOF, Oliveira Junior ON de, Mejía-Salazar JR. Magnetochiroptical nanocavities in hyperbolic metamaterials enable sensing down to the few-molecule level [Internet]. Journal of Chemical Physics. 2024 ; 160( 7): 071104-1-071104-6.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1063/5.0183806
  • Source: Journal of Chemical Physics. Unidade: IQ

    Subjects: ESPECTROSCOPIA, HIDROGÊNIO

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    • ABNT

      PASCHOAL, Vitor Hugo e RIBEIRO, Mauro Carlos Costa. Phase transitions of choline dihydrogen phosphate: a vibrational spectroscopy and periodic DFT study. Journal of Chemical Physics, v. 160, p. 1-13 art. 094507 : + Supplementary materials (S1-S9), 2024Tradução . . Disponível em: https://dx.doi.org/10.1063/5.0189049. Acesso em: 15 nov. 2024.
    • APA

      Paschoal, V. H., & Ribeiro, M. C. C. (2024). Phase transitions of choline dihydrogen phosphate: a vibrational spectroscopy and periodic DFT study. Journal of Chemical Physics, 160, 1-13 art. 094507 : + Supplementary materials (S1-S9). doi:10.1063/5.0189049
    • NLM

      Paschoal VH, Ribeiro MCC. Phase transitions of choline dihydrogen phosphate: a vibrational spectroscopy and periodic DFT study [Internet]. Journal of Chemical Physics. 2024 ; 160 1-13 art. 094507 : + Supplementary materials (S1-S9).[citado 2024 nov. 15 ] Available from: https://dx.doi.org/10.1063/5.0189049
    • Vancouver

      Paschoal VH, Ribeiro MCC. Phase transitions of choline dihydrogen phosphate: a vibrational spectroscopy and periodic DFT study [Internet]. Journal of Chemical Physics. 2024 ; 160 1-13 art. 094507 : + Supplementary materials (S1-S9).[citado 2024 nov. 15 ] Available from: https://dx.doi.org/10.1063/5.0189049
  • Source: Journal of Chemical Physics. Unidade: IFSC

    Subjects: MÉTODO DE MONTE CARLO, FÍSICA MODERNA, PROPRIEDADES DOS MATERIAIS

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      BRITO, Bráulio Gabriel e HAI, Guo-Qiang e CÂNDIDO, Ladir. Investigating the role of carbon doping on the structural and energetic properties of small aluminum clusters using quantum Monte Carlo. Journal of Chemical Physics, v. 158, n. 22, p. 224305-1-224305-7, 2023Tradução . . Disponível em: https://doi.org/10.1063/5.0156315. Acesso em: 15 nov. 2024.
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      Brito, B. G., Hai, G. -Q., & Cândido, L. (2023). Investigating the role of carbon doping on the structural and energetic properties of small aluminum clusters using quantum Monte Carlo. Journal of Chemical Physics, 158( 22), 224305-1-224305-7. doi:10.1063/5.0156315
    • NLM

      Brito BG, Hai G-Q, Cândido L. Investigating the role of carbon doping on the structural and energetic properties of small aluminum clusters using quantum Monte Carlo [Internet]. Journal of Chemical Physics. 2023 ; 158( 22): 224305-1-224305-7.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1063/5.0156315
    • Vancouver

      Brito BG, Hai G-Q, Cândido L. Investigating the role of carbon doping on the structural and energetic properties of small aluminum clusters using quantum Monte Carlo [Internet]. Journal of Chemical Physics. 2023 ; 158( 22): 224305-1-224305-7.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1063/5.0156315
  • Source: Journal of Chemical Physics. Unidade: IQ

    Subjects: FILMES FINOS, LÍQUIDOS IÔNICOS, CISALHAMENTO, VISCOSIDADE DO FLUXO DOS LÍQUIDOS

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    • ABNT

      BERNARDINO, Kalil e RIBEIRO, Mauro Carlos Costa. Confined ionic liquids films under shear: the importance of the chemical nature of the solid surface. Journal of Chemical Physics, v. 158, p. 1-15 art. 094712-2, 2023Tradução . . Disponível em: https://dx.doi.org/10.1063/5.0141388. Acesso em: 15 nov. 2024.
    • APA

      Bernardino, K., & Ribeiro, M. C. C. (2023). Confined ionic liquids films under shear: the importance of the chemical nature of the solid surface. Journal of Chemical Physics, 158, 1-15 art. 094712-2. doi:10.1063/5.0141388
    • NLM

      Bernardino K, Ribeiro MCC. Confined ionic liquids films under shear: the importance of the chemical nature of the solid surface [Internet]. Journal of Chemical Physics. 2023 ; 158 1-15 art. 094712-2.[citado 2024 nov. 15 ] Available from: https://dx.doi.org/10.1063/5.0141388
    • Vancouver

      Bernardino K, Ribeiro MCC. Confined ionic liquids films under shear: the importance of the chemical nature of the solid surface [Internet]. Journal of Chemical Physics. 2023 ; 158 1-15 art. 094712-2.[citado 2024 nov. 15 ] Available from: https://dx.doi.org/10.1063/5.0141388
  • Source: Journal of Chemical Physics. Unidade: IFSC

    Subjects: ÓPTICA NÃO LINEAR, LASER, DISPOSITIVOS ELETRÔNICOS

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      SANTOS, Carlos Henrique Domingues dos et al. Observation of the two-photon transition enhanced first hyperpolarizability spectra in cinnamaldehyde derivatives: a femtosecond regime study. Journal of Chemical Physics, v. 158, n. 21, p. 214201-1-214201-11 + supplementary materials, 2023Tradução . . Disponível em: https://doi.org/10.1063/5.0151622. Acesso em: 15 nov. 2024.
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      Santos, C. H. D. dos, Cocca, L. H. Z., Pelosi, A. G., Batista, V. F., Pinto, D. C. G. A., Faustino, M. do A. F., et al. (2023). Observation of the two-photon transition enhanced first hyperpolarizability spectra in cinnamaldehyde derivatives: a femtosecond regime study. Journal of Chemical Physics, 158( 21), 214201-1-214201-11 + supplementary materials. doi:10.1063/5.0151622
    • NLM

      Santos CHD dos, Cocca LHZ, Pelosi AG, Batista VF, Pinto DCGA, Faustino M do AF, Vivas MG, Siqueira J de P, Mendonça CR, De Boni L. Observation of the two-photon transition enhanced first hyperpolarizability spectra in cinnamaldehyde derivatives: a femtosecond regime study [Internet]. Journal of Chemical Physics. 2023 ; 158( 21): 214201-1-214201-11 + supplementary materials.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1063/5.0151622
    • Vancouver

      Santos CHD dos, Cocca LHZ, Pelosi AG, Batista VF, Pinto DCGA, Faustino M do AF, Vivas MG, Siqueira J de P, Mendonça CR, De Boni L. Observation of the two-photon transition enhanced first hyperpolarizability spectra in cinnamaldehyde derivatives: a femtosecond regime study [Internet]. Journal of Chemical Physics. 2023 ; 158( 21): 214201-1-214201-11 + supplementary materials.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1063/5.0151622
  • Source: Journal of Chemical Physics. Unidade: IFSC

    Subjects: ÓPTICA NÃO LINEAR, FOTÔNICA

    Disponível em 2024-12-28Acesso à fonteDOIHow to cite
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    • ABNT

      SCIUTI, Lucas Fiocco et al. Studying the first order hyperpolarizability spectra in chalcone-based derivatives and the relation with one- and two-photon absorption transitions. Journal of Chemical Physics, v. 159, n. 24, p. 244311-1-244311-9 + supplementary materials, 2023Tradução . . Disponível em: https://doi.org/10.1063/5.0166036. Acesso em: 15 nov. 2024.
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      Sciuti, L. F., Santos, C. H. D. dos, Cocca, L. H. Z., Pelosi, A. G., Costa, R. G. M. da, Limberger, J., et al. (2023). Studying the first order hyperpolarizability spectra in chalcone-based derivatives and the relation with one- and two-photon absorption transitions. Journal of Chemical Physics, 159( 24), 244311-1-244311-9 + supplementary materials. doi:10.1063/5.0166036
    • NLM

      Sciuti LF, Santos CHD dos, Cocca LHZ, Pelosi AG, Costa RGM da, Limberger J, Mendonça CR, De Boni L. Studying the first order hyperpolarizability spectra in chalcone-based derivatives and the relation with one- and two-photon absorption transitions [Internet]. Journal of Chemical Physics. 2023 ; 159( 24): 244311-1-244311-9 + supplementary materials.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1063/5.0166036
    • Vancouver

      Sciuti LF, Santos CHD dos, Cocca LHZ, Pelosi AG, Costa RGM da, Limberger J, Mendonça CR, De Boni L. Studying the first order hyperpolarizability spectra in chalcone-based derivatives and the relation with one- and two-photon absorption transitions [Internet]. Journal of Chemical Physics. 2023 ; 159( 24): 244311-1-244311-9 + supplementary materials.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1063/5.0166036
  • Source: Journal of Chemical Physics. Unidade: IFSC

    Subjects: RESSONÂNCIA MAGNÉTICA NUCLEAR, DIFRAÇÃO POR RAIOS X, VIDRO CERÂMICO

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      MOHAMMADI, Hesameddin et al. Structure of diopside, enstatite, and magnesium aluminosilicate glasses: a joint approach using neutron and x-ray diffraction and solid-state NMR. Journal of Chemical Physics, v. 157, n. 21, p. 214503-1-214503-22, 2022Tradução . . Disponível em: https://doi.org/10.1063/5.0125879. Acesso em: 15 nov. 2024.
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      Mohammadi, H., Silva, R. M. da, Zeidler, A., Gammond, L. V. D., Gehlhaar, F., Oliveira Junior, M. de, et al. (2022). Structure of diopside, enstatite, and magnesium aluminosilicate glasses: a joint approach using neutron and x-ray diffraction and solid-state NMR. Journal of Chemical Physics, 157( 21), 214503-1-214503-22. doi:10.1063/5.0125879
    • NLM

      Mohammadi H, Silva RM da, Zeidler A, Gammond LVD, Gehlhaar F, Oliveira Junior M de, Damasceno H, Eckert H, Youngman RE, Aitken BG, Fischer HE, Kohlmann H, Cormier L, Benmore CJ, Salmon PS. Structure of diopside, enstatite, and magnesium aluminosilicate glasses: a joint approach using neutron and x-ray diffraction and solid-state NMR [Internet]. Journal of Chemical Physics. 2022 ; 157( 21): 214503-1-214503-22.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1063/5.0125879
    • Vancouver

      Mohammadi H, Silva RM da, Zeidler A, Gammond LVD, Gehlhaar F, Oliveira Junior M de, Damasceno H, Eckert H, Youngman RE, Aitken BG, Fischer HE, Kohlmann H, Cormier L, Benmore CJ, Salmon PS. Structure of diopside, enstatite, and magnesium aluminosilicate glasses: a joint approach using neutron and x-ray diffraction and solid-state NMR [Internet]. Journal of Chemical Physics. 2022 ; 157( 21): 214503-1-214503-22.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1063/5.0125879
  • Source: Journal of Chemical Physics. Unidade: IFSC

    Subjects: ESPECTROSCOPIA DE RESSONÂNCIA MAGNÉTICA NUCLEAR, VIDRO CERÂMICO, MOBILIDADE IÔNICA

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    • ABNT

      GAMMOND, Lawrence V. D. et al. Structure of crystalline and amorphous materials in the NASICON system Na1+xAlxGe2-x(PO4)3. Journal of Chemical Physics, v. 155, n. 7, p. 074501-1-074501-23 + supplementary material , 2021Tradução . . Disponível em: https://doi.org/10.1063/5.0049399. Acesso em: 15 nov. 2024.
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      Gammond, L. V. D., Auer, H., Silva, R. M. da, Zeidler, A., Ortiz-Mosquera, J. F., Nieto-Muñoz, A. M., et al. (2021). Structure of crystalline and amorphous materials in the NASICON system Na1+xAlxGe2-x(PO4)3. Journal of Chemical Physics, 155( 7), 074501-1-074501-23 + supplementary material . doi:10.1063/5.0049399
    • NLM

      Gammond LVD, Auer H, Silva RM da, Zeidler A, Ortiz-Mosquera JF, Nieto-Muñoz AM, Rodrigues ACM, Silva I d'AA, Eckert H, Benmore CJ, Salmon PS. Structure of crystalline and amorphous materials in the NASICON system Na1+xAlxGe2-x(PO4)3 [Internet]. Journal of Chemical Physics. 2021 ; 155( 7): 074501-1-074501-23 + supplementary material .[citado 2024 nov. 15 ] Available from: https://doi.org/10.1063/5.0049399
    • Vancouver

      Gammond LVD, Auer H, Silva RM da, Zeidler A, Ortiz-Mosquera JF, Nieto-Muñoz AM, Rodrigues ACM, Silva I d'AA, Eckert H, Benmore CJ, Salmon PS. Structure of crystalline and amorphous materials in the NASICON system Na1+xAlxGe2-x(PO4)3 [Internet]. Journal of Chemical Physics. 2021 ; 155( 7): 074501-1-074501-23 + supplementary material .[citado 2024 nov. 15 ] Available from: https://doi.org/10.1063/5.0049399
  • Source: Journal of Chemical Physics. Unidade: IF

    Subjects: FÍSICO-QUÍMICA, SOLVENTE, MECÂNICA QUÂNTICA

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      BRANDAO, Idney et al. Applicability of DFT functionals for evaluating the first hyperpolarizability of phenol blue in solution. Journal of Chemical Physics, v. 154, n. 9, 2021Tradução . . Disponível em: https://doi.org/10.1063/5.0033134. Acesso em: 15 nov. 2024.
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      Brandao, I., Fonseca, T., Franco, L., Georg, H. C., & Castro, M. (2021). Applicability of DFT functionals for evaluating the first hyperpolarizability of phenol blue in solution. Journal of Chemical Physics, 154( 9). doi:10.1063/5.0033134
    • NLM

      Brandao I, Fonseca T, Franco L, Georg HC, Castro M. Applicability of DFT functionals for evaluating the first hyperpolarizability of phenol blue in solution [Internet]. Journal of Chemical Physics. 2021 ; 154( 9):[citado 2024 nov. 15 ] Available from: https://doi.org/10.1063/5.0033134
    • Vancouver

      Brandao I, Fonseca T, Franco L, Georg HC, Castro M. Applicability of DFT functionals for evaluating the first hyperpolarizability of phenol blue in solution [Internet]. Journal of Chemical Physics. 2021 ; 154( 9):[citado 2024 nov. 15 ] Available from: https://doi.org/10.1063/5.0033134
  • Source: Journal of Chemical Physics. Unidade: IF

    Subjects: SOLVATAÇÃO, ÁGUA, METANOL

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      OLIVEIRA, Leonardo Bruno Assis et al. Preferential solvation and optical properties of eumelanin building blocks in binary mixture of methanol and water. Journal of Chemical Physics, v. 155, 2021Tradução . . Disponível em: https://doi.org/10.1063/5.0065723. Acesso em: 15 nov. 2024.
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      Oliveira, L. B. A., Fonseca, T. L., Cabral, B. J. C., Coutinho, K. R., & Canuto, S. R. A. (2021). Preferential solvation and optical properties of eumelanin building blocks in binary mixture of methanol and water. Journal of Chemical Physics, 155. doi:10.1063/5.0065723
    • NLM

      Oliveira LBA, Fonseca TL, Cabral BJC, Coutinho KR, Canuto SRA. Preferential solvation and optical properties of eumelanin building blocks in binary mixture of methanol and water [Internet]. Journal of Chemical Physics. 2021 ; 155[citado 2024 nov. 15 ] Available from: https://doi.org/10.1063/5.0065723
    • Vancouver

      Oliveira LBA, Fonseca TL, Cabral BJC, Coutinho KR, Canuto SRA. Preferential solvation and optical properties of eumelanin building blocks in binary mixture of methanol and water [Internet]. Journal of Chemical Physics. 2021 ; 155[citado 2024 nov. 15 ] Available from: https://doi.org/10.1063/5.0065723

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