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  • Artigo de periodico

    Transient absorption and anisotropy studies of a push–pull azo derivative with an isomerization path-selective local minimum in the ground state (2025)

    Garcia, Rafael de Queiroz ; Buckup, Tiago ; Ishow, Elena ; De Boni, Leonardo

    Source: Journal of Chemical Physics. Unidade: IFSC

    Subjects: LASER, ESPECTROSCOPIA DE ABSORÇÃO ATÔMICA, CONSERVAÇÃO DE ENERGIA

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      GARCIA, Rafael de Queiroz et al. Transient absorption and anisotropy studies of a push–pull azo derivative with an isomerization path-selective local minimum in the ground state. Journal of Chemical Physics, v. 162, n. 12, p. 124305-1-124305-10 + supplementary material, 2025Tradução . . Disponível em: https://doi.org/10.1063/5.0251286. Acesso em: 13 jun. 2025.

    • APA

      Garcia, R. de Q., Buckup, T., Ishow, E., & De Boni, L. (2025). Transient absorption and anisotropy studies of a push–pull azo derivative with an isomerization path-selective local minimum in the ground state. Journal of Chemical Physics, 162( 12), 124305-1-124305-10 + supplementary material. doi:10.1063/5.0251286

    • NLM

      Garcia R de Q, Buckup T, Ishow E, De Boni L. Transient absorption and anisotropy studies of a push–pull azo derivative with an isomerization path-selective local minimum in the ground state [Internet]. Journal of Chemical Physics. 2025 ; 162( 12): 124305-1-124305-10 + supplementary material.[citado 2025 jun. 13 ] Available from: https://doi.org/10.1063/5.0251286

    • Vancouver

      Garcia R de Q, Buckup T, Ishow E, De Boni L. Transient absorption and anisotropy studies of a push–pull azo derivative with an isomerization path-selective local minimum in the ground state [Internet]. Journal of Chemical Physics. 2025 ; 162( 12): 124305-1-124305-10 + supplementary material.[citado 2025 jun. 13 ] Available from: https://doi.org/10.1063/5.0251286

  • Artigo de periodico

    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 (2024)

    Batista, Patrick Rodrigues ; Ducati, Lucas Colucci ; Autschbach, Jochen

    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: 13 jun. 2025.

    • 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 2025 jun. 13 ] 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 2025 jun. 13 ] Available from: https://dx.doi.org/10.1063/5.0196853

  • Artigo de periodico

    On the mechanism for work function change of gold electrodes by ultrathin polyethyleneimine (PEI) films: effect of molecular order (2024)

    Ferreira, Claudia Santana Gonçalves ; Sousa, Marcos da Silva ; Günther, Florian Steffen ; Miranda, Paulo Barbeitas

    Source: Journal of Chemical Physics. Unidades: IFSC, EESC

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

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      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: 13 jun. 2025.

    • APA

      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 2025 jun. 13 ] 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 2025 jun. 13 ] Available from: https://doi.org/10.1063/5.0234654

  • Artigo de periodico

    On a direct method of calculating pressure in the canonical ensemble (2024)

    Tanouye, Fernando Takeshi ; Alves, Jozismar Rodrigues

    Source: Journal of Chemical Physics. Unidade: IF

    Assunto: MÉTODO DE MONTE CARLO

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      TANOUYE, Fernando Takeshi e ALVES, Jozismar Rodrigues. On a direct method of calculating pressure in the canonical ensemble. Journal of Chemical Physics, v. 160, n. 6, 2024Tradução . . Disponível em: https://doi.org/10.1063/5.0187585. Acesso em: 13 jun. 2025.

    • APA

      Tanouye, F. T., & Alves, J. R. (2024). On a direct method of calculating pressure in the canonical ensemble. Journal of Chemical Physics, 160( 6). doi:10.1063/5.0187585

    • NLM

      Tanouye FT, Alves JR. On a direct method of calculating pressure in the canonical ensemble [Internet]. Journal of Chemical Physics. 2024 ; 160( 6):[citado 2025 jun. 13 ] Available from: https://doi.org/10.1063/5.0187585

    • Vancouver

      Tanouye FT, Alves JR. On a direct method of calculating pressure in the canonical ensemble [Internet]. Journal of Chemical Physics. 2024 ; 160( 6):[citado 2025 jun. 13 ] Available from: https://doi.org/10.1063/5.0187585

  • Artigo de periodico

    Toward a numerically efficient description of bulk-solvated anionic states (2024)

    Kiataki, Matheus Bacigalupo ; Coutinho, Kaline Rabelo ; Varella, Márcio Teixeira do Nascimento

    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: 13 jun. 2025.

    • APA

      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: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 2025 jun. 13 ] 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 2025 jun. 13 ] Available from: https://doi.org/10.1063/5.0203247

  • Artigo de periodico

    Magnetochiroptical nanocavities in hyperbolic metamaterials enable sensing down to the few-molecule level (2024)

    Carvalho, William Orivaldo Faria ; Oliveira Junior, Osvaldo Novais de ; Mejía-Salazar, Jorge Ricardo

    Source: Journal of Chemical Physics. Unidade: IFSC

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

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      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: 13 jun. 2025.

    • APA

      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 2025 jun. 13 ] 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 2025 jun. 13 ] Available from: https://doi.org/10.1063/5.0183806

  • Artigo de periodico

    Phase transitions of choline dihydrogen phosphate: a vibrational spectroscopy and periodic DFT study (2024)

    Paschoal, Vitor Hugo ; Ribeiro, Mauro Carlos Costa

    Source: Journal of Chemical Physics. Unidade: IQ

    Subjects: ESPECTROSCOPIA, HIDROGÊNIO

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      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: 13 jun. 2025.

    • 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 2025 jun. 13 ] 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 2025 jun. 13 ] Available from: https://dx.doi.org/10.1063/5.0189049

  • Artigo de periodico

    Investigating the role of carbon doping on the structural and energetic properties of small aluminum clusters using quantum Monte Carlo (2023)

    Brito, Bráulio Gabriel ; Hai, Guo-Qiang ; Cândido, Ladir

    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: 13 jun. 2025.

    • APA

      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 2025 jun. 13 ] 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 2025 jun. 13 ] Available from: https://doi.org/10.1063/5.0156315

  • Artigo de periodico

    Confined ionic liquids films under shear: the importance of the chemical nature of the solid surface (2023)

    Bernardino, Kalil ; Ribeiro, Mauro Carlos Costa

    Source: Journal of Chemical Physics. Unidade: IQ

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

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      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: 13 jun. 2025.

    • 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 2025 jun. 13 ] 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 2025 jun. 13 ] Available from: https://dx.doi.org/10.1063/5.0141388

  • Artigo de periodico

    Observation of the two-photon transition enhanced first hyperpolarizability spectra in cinnamaldehyde derivatives: a femtosecond regime study (2023)

    Santos, Carlos Henrique Domingues dos; Cocca, Leandro Henrique Zucolotto ; Pelosi, André Gasparotto; Batista, Vasco Figueiredo; Pinto, Diana Cláudia Gouveia Alves; Faustino, Maria do Amparo Ferreira ; Vivas, Marcelo Gonçalves ; Siqueira, Jonathas de Paula ; Mendonça, Cleber Renato ; De Boni, Leonardo

    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: 13 jun. 2025.

    • APA

      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 2025 jun. 13 ] 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 2025 jun. 13 ] Available from: https://doi.org/10.1063/5.0151622

  • Artigo de periodico

    Studying the first order hyperpolarizability spectra in chalcone-based derivatives and the relation with one- and two-photon absorption transitions (2023)

    Sciuti, Lucas Fiocco ; Santos, Carlos Henrique Domingues dos ; Cocca, Leandro Henrique Zucolotto ; Pelosi, André Gasparotto ; Costa, Rafaela Gomes Martins da ; Limberger, Jones ; Mendonça, Cleber Renato ; De Boni, Leonardo

    Source: Journal of Chemical Physics. Unidade: IFSC

    Subjects: ÓPTICA NÃO LINEAR, FOTÔNICA

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      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: 13 jun. 2025.

    • APA

      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 2025 jun. 13 ] 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 2025 jun. 13 ] Available from: https://doi.org/10.1063/5.0166036

  • Artigo de periodico

    Structure of diopside, enstatite, and magnesium aluminosilicate glasses: a joint approach using neutron and x-ray diffraction and solid-state NMR (2022)

    Mohammadi, Hesameddin ; Silva, Rita Mendes da ; Zeidler, Anita ; Gammond, Lawrence V. D. ; Gehlhaar, Florian ; Oliveira Junior, Marcos de ; Damasceno, Hugo ; Eckert, Hellmut ; Youngman, Randall E. ; Aitken, Bruce G.; Fischer, Henry E. ; Kohlmann, Holger ; Cormier, Laurent ; Benmore, Chris J. ; Salmon, Philip Stephen

    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: 13 jun. 2025.

    • APA

      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 2025 jun. 13 ] 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 2025 jun. 13 ] Available from: https://doi.org/10.1063/5.0125879

  • Artigo de periodico

    Structure of crystalline and amorphous materials in the NASICON system Na1+xAlxGe2-x(PO4)3 (2021)

    Gammond, Lawrence V. D. ; Auer, Henry ; Silva, Rita Mendes da ; Zeidler, Anita ; Ortiz-Mosquera, Jairo F. ; Nieto-Muñoz, Adriana M. ; Rodrigues, Ana Candida M. ; Silva, Igor d'Anciães Almeida ; Eckert, Hellmut ; Benmore, Chris J. ; Salmon, Philip S.

    Source: Journal of Chemical Physics. Unidade: IFSC

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

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      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: 13 jun. 2025.

    • APA

      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 2025 jun. 13 ] 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 2025 jun. 13 ] Available from: https://doi.org/10.1063/5.0049399

  • Artigo de periodico

    Applicability of DFT functionals for evaluating the first hyperpolarizability of phenol blue in solution (2021)

    Brandao, Idney ; Fonseca, Tertius ; Franco, Leandro ; Georg, Herbert C. ; Castro, Marcos

    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: 13 jun. 2025.

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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

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      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 2025 jun. 13 ] 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 2025 jun. 13 ] Available from: https://doi.org/10.1063/5.0033134

  • Artigo de periodico

    Preferential solvation and optical properties of eumelanin building blocks in binary mixture of methanol and water (2021)

    Oliveira, Leonardo Bruno Assis ; Fonseca, Tertius Lima ; Cabral, Benedito J C; Coutinho, Kaline Rabelo ; Canuto, Sylvio Roberto Accioly

    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: 13 jun. 2025.

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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 2025 jun. 13 ] 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 2025 jun. 13 ] Available from: https://doi.org/10.1063/5.0065723

  • Artigo de periodico

    Effect of alkyl-group flexibility on the melting point of imidazolium-based ionic liquids (2020)

    Bernardino, Kalil ; Zhang, Yong; Ribeiro, Mauro Carlos Costa ; Maginn, Edward J

    Source: Journal of Chemical Physics. Unidade: IQ

    Subjects: LÍQUIDOS IÔNICOS, ÍONS

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      BERNARDINO, Kalil et al. Effect of alkyl-group flexibility on the melting point of imidazolium-based ionic liquids. Journal of Chemical Physics, v. 153, p. 1-14 art. 044504, 2020Tradução . . Disponível em: https://doi.org/10.1063/5.0015992. Acesso em: 13 jun. 2025.

    • APA

      Bernardino, K., Zhang, Y., Ribeiro, M. C. C., & Maginn, E. J. (2020). Effect of alkyl-group flexibility on the melting point of imidazolium-based ionic liquids. Journal of Chemical Physics, 153, 1-14 art. 044504. doi:10.1063/5.0015992

    • NLM

      Bernardino K, Zhang Y, Ribeiro MCC, Maginn EJ. Effect of alkyl-group flexibility on the melting point of imidazolium-based ionic liquids [Internet]. Journal of Chemical Physics. 2020 ; 153 1-14 art. 044504.[citado 2025 jun. 13 ] Available from: https://doi.org/10.1063/5.0015992

    • Vancouver

      Bernardino K, Zhang Y, Ribeiro MCC, Maginn EJ. Effect of alkyl-group flexibility on the melting point of imidazolium-based ionic liquids [Internet]. Journal of Chemical Physics. 2020 ; 153 1-14 art. 044504.[citado 2025 jun. 13 ] Available from: https://doi.org/10.1063/5.0015992

  • Artigo de periodico

    Quantum Monte Carlo simulation for the many-body decomposition of the interaction energy and electron correlation of small superalkali lithium clusters (2019)

    Brito, B. G. A.; Hai, Guo-Qiang ; Cândido, L.

    Source: Journal of Chemical Physics. Unidade: IFSC

    Subjects: DIELÉTRICOS, MÉTODO DE MONTE CARLO, MATERIAIS

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      BRITO, B. G. A. e HAI, Guo-Qiang e CÂNDIDO, L. Quantum Monte Carlo simulation for the many-body decomposition of the interaction energy and electron correlation of small superalkali lithium clusters. Journal of Chemical Physics, v. 151, n. 1, p. 014303-1-014303-8, 2019Tradução . . Disponível em: https://doi.org/10.1063/1.5099479. Acesso em: 13 jun. 2025.

    • APA

      Brito, B. G. A., Hai, G. -Q., & Cândido, L. (2019). Quantum Monte Carlo simulation for the many-body decomposition of the interaction energy and electron correlation of small superalkali lithium clusters. Journal of Chemical Physics, 151( 1), 014303-1-014303-8. doi:10.1063/1.5099479

    • NLM

      Brito BGA, Hai G-Q, Cândido L. Quantum Monte Carlo simulation for the many-body decomposition of the interaction energy and electron correlation of small superalkali lithium clusters [Internet]. Journal of Chemical Physics. 2019 ; 151( 1): 014303-1-014303-8.[citado 2025 jun. 13 ] Available from: https://doi.org/10.1063/1.5099479

    • Vancouver

      Brito BGA, Hai G-Q, Cândido L. Quantum Monte Carlo simulation for the many-body decomposition of the interaction energy and electron correlation of small superalkali lithium clusters [Internet]. Journal of Chemical Physics. 2019 ; 151( 1): 014303-1-014303-8.[citado 2025 jun. 13 ] Available from: https://doi.org/10.1063/1.5099479

  • Artigo de periodico

    Low-frequency Raman spectra of a glass-forming ionic liquid at low temperature and high pressure (2019)

    Lima, Thamires A; Ribeiro, Mauro Carlos Costa

    Source: Journal of Chemical Physics. Unidade: IQ

    Subjects: ESPECTROSCOPIA RAMAN, LÍQUIDOS IÔNICOS

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      LIMA, Thamires A e RIBEIRO, Mauro Carlos Costa. Low-frequency Raman spectra of a glass-forming ionic liquid at low temperature and high pressure. Journal of Chemical Physics, v. 150, n. 16, p. 1-9 art. 164502, 2019Tradução . . Disponível em: https://doi.org/10.1063/1.5094724. Acesso em: 13 jun. 2025.

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      Lima, T. A., & Ribeiro, M. C. C. (2019). Low-frequency Raman spectra of a glass-forming ionic liquid at low temperature and high pressure. Journal of Chemical Physics, 150( 16), 1-9 art. 164502. doi:10.1063/1.5094724

    • NLM

      Lima TA, Ribeiro MCC. Low-frequency Raman spectra of a glass-forming ionic liquid at low temperature and high pressure [Internet]. Journal of Chemical Physics. 2019 ; 150( 16): 1-9 art. 164502.[citado 2025 jun. 13 ] Available from: https://doi.org/10.1063/1.5094724

    • Vancouver

      Lima TA, Ribeiro MCC. Low-frequency Raman spectra of a glass-forming ionic liquid at low temperature and high pressure [Internet]. Journal of Chemical Physics. 2019 ; 150( 16): 1-9 art. 164502.[citado 2025 jun. 13 ] Available from: https://doi.org/10.1063/1.5094724

  • Artigo de periodico

    On-the-fly dynamics simulations of transient anions (2019)

    Kossoski, Fábris ; Varella, Marcio ; Barbatti, Mario

    Source: Journal of Chemical Physics. Unidade: IF

    Subjects: FÍSICO-QUÍMICA, COLISÕES DE ÍONS PESADOS RELATIVÍSTICOS, ESPALHAMENTO, ESPECTROSCOPIA ATÔMICA

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      KOSSOSKI, Fábris e VARELLA, Marcio e BARBATTI, Mario. On-the-fly dynamics simulations of transient anions. Journal of Chemical Physics, v. 151, n. 22, 2019Tradução . . Disponível em: https://doi.org/10.1063/1.5130547. Acesso em: 13 jun. 2025.

    • APA

      Kossoski, F., Varella, M., & Barbatti, M. (2019). On-the-fly dynamics simulations of transient anions. Journal of Chemical Physics, 151( 22). doi:10.1063/1.5130547

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      Kossoski F, Varella M, Barbatti M. On-the-fly dynamics simulations of transient anions [Internet]. Journal of Chemical Physics. 2019 ; 151( 22):[citado 2025 jun. 13 ] Available from: https://doi.org/10.1063/1.5130547

    • Vancouver

      Kossoski F, Varella M, Barbatti M. On-the-fly dynamics simulations of transient anions [Internet]. Journal of Chemical Physics. 2019 ; 151( 22):[citado 2025 jun. 13 ] Available from: https://doi.org/10.1063/1.5130547

  • Artigo de periodico

    Spatial and thermal signatures of α and β relaxations in glassy and glacial aliphatic ionic liquids (2019)

    Lima, Thamires Andrade; Li, Zhixia; Tyagi, Madhusudan; Ribeiro, Mauro Carlos Costa ; Zhang, Yang

    Source: Journal of Chemical Physics. Unidade: IQ

    Subjects: LÍQUIDOS IÔNICOS, FÍSICO-QUÍMICA

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      LIMA, Thamires Andrade et al. Spatial and thermal signatures of α and β relaxations in glassy and glacial aliphatic ionic liquids. Journal of Chemical Physics, v. 150, n. 14, p. 1-7 art. 144506, 2019Tradução . . Disponível em: https://doi.org/10.1063/1.5081684. Acesso em: 13 jun. 2025.

    • APA

      Lima, T. A., Li, Z., Tyagi, M., Ribeiro, M. C. C., & Zhang, Y. (2019). Spatial and thermal signatures of α and β relaxations in glassy and glacial aliphatic ionic liquids. Journal of Chemical Physics, 150( 14), 1-7 art. 144506. doi:10.1063/1.5081684

    • NLM

      Lima TA, Li Z, Tyagi M, Ribeiro MCC, Zhang Y. Spatial and thermal signatures of α and β relaxations in glassy and glacial aliphatic ionic liquids [Internet]. Journal of Chemical Physics. 2019 ; 150( 14): 1-7 art. 144506.[citado 2025 jun. 13 ] Available from: https://doi.org/10.1063/1.5081684

    • Vancouver

      Lima TA, Li Z, Tyagi M, Ribeiro MCC, Zhang Y. Spatial and thermal signatures of α and β relaxations in glassy and glacial aliphatic ionic liquids [Internet]. Journal of Chemical Physics. 2019 ; 150( 14): 1-7 art. 144506.[citado 2025 jun. 13 ] Available from: https://doi.org/10.1063/1.5081684

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