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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: 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
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: 15 nov. 2024.
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 2024 nov. 15 ] 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 2024 nov. 15 ] Available from: https://doi.org/10.1063/5.0187585
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: 15 nov. 2024.
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 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
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: 15 nov. 2024.
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: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
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: 15 nov. 2024.
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 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
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: 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
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: 15 nov. 2024.
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 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
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: 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
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: 15 nov. 2024.
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 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
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: 15 nov. 2024.
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 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
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: 15 nov. 2024.
APA
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
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: 15 nov. 2024.
APA
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
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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ABNT
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: 15 nov. 2024.
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 2024 nov. 15 ] 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 2024 nov. 15 ] 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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ABNT
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: 15 nov. 2024.
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 2024 nov. 15 ] 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 2024 nov. 15 ] 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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ABNT
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: 15 nov. 2024.
APA
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 2024 nov. 15 ] 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 2024 nov. 15 ] 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
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
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: 15 nov. 2024.
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
NLM
Kossoski F, Varella M, Barbatti M. On-the-fly dynamics simulations of transient anions [Internet]. Journal of Chemical Physics. 2019 ; 151( 22):[citado 2024 nov. 15 ] 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 2024 nov. 15 ] 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
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
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: 15 nov. 2024.
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 2024 nov. 15 ] 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 2024 nov. 15 ] Available from: https://doi.org/10.1063/1.5081684
Artigo de periodico
Molecular dynamics simulations of polyethers and a quaternary ammonium ionic liquid as 'CO IND. 2' absorbers (2018)
Cardoso, Piercarlo Fortunato; Fernandez, Juan S. L. C; Lepre, Luiz Fernando; Ando, Rômulo Augusto ; Gomes, Margarida F. Costa; Siqueira, Leonardo José Amaral de
Source: Journal of Chemical Physics. Unidade: IQ
Subjects: LÍQUIDOS IÔNICOS, AMÔNIA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
CARDOSO, Piercarlo Fortunato et al. Molecular dynamics simulations of polyethers and a quaternary ammonium ionic liquid as 'CO IND. 2' absorbers. Journal of Chemical Physics, v. 148, n. 13, p. 1-9 art. 134908, 2018Tradução . . Disponível em: https://doi.org/10.1063/1.5019431. Acesso em: 15 nov. 2024.
APA
Cardoso, P. F., Fernandez, J. S. L. C., Lepre, L. F., Ando, R. A., Gomes, M. F. C., & Siqueira, L. J. A. de. (2018). Molecular dynamics simulations of polyethers and a quaternary ammonium ionic liquid as 'CO IND. 2' absorbers. Journal of Chemical Physics, 148( 13), 1-9 art. 134908. doi:10.1063/1.5019431
NLM
Cardoso PF, Fernandez JSLC, Lepre LF, Ando RA, Gomes MFC, Siqueira LJA de. Molecular dynamics simulations of polyethers and a quaternary ammonium ionic liquid as 'CO IND. 2' absorbers [Internet]. Journal of Chemical Physics. 2018 ; 148( 13): 1-9 art. 134908.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1063/1.5019431
Vancouver
Cardoso PF, Fernandez JSLC, Lepre LF, Ando RA, Gomes MFC, Siqueira LJA de. Molecular dynamics simulations of polyethers and a quaternary ammonium ionic liquid as 'CO IND. 2' absorbers [Internet]. Journal of Chemical Physics. 2018 ; 148( 13): 1-9 art. 134908.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1063/1.5019431
Artigo de periodico
Communication: glass transition and melting lines of an ionic liquid (2018)
Lima, Thamires A; Faria, Luiz Felipe de Oliveira; Paschoal, Vitor Hugo ; Ribeiro, Mauro Carlos Costa
Source: Journal of Chemical Physics. Unidade: IQ
Subjects: LÍQUIDOS IÔNICOS, DIFRAÇÃO POR RAIOS X
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
LIMA, Thamires A et al. Communication: glass transition and melting lines of an ionic liquid. Journal of Chemical Physics, v. 148, n. 17, p. 1-6 art. 171101, 2018Tradução . . Disponível em: https://doi.org/10.1063/1.5030083. Acesso em: 15 nov. 2024.
APA
Lima, T. A., Faria, L. F. de O., Paschoal, V. H., & Ribeiro, M. C. C. (2018). Communication: glass transition and melting lines of an ionic liquid. Journal of Chemical Physics, 148( 17), 1-6 art. 171101. doi:10.1063/1.5030083
NLM
Lima TA, Faria LF de O, Paschoal VH, Ribeiro MCC. Communication: glass transition and melting lines of an ionic liquid [Internet]. Journal of Chemical Physics. 2018 ; 148( 17): 1-6 art. 171101.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1063/1.5030083
Vancouver
Lima TA, Faria LF de O, Paschoal VH, Ribeiro MCC. Communication: glass transition and melting lines of an ionic liquid [Internet]. Journal of Chemical Physics. 2018 ; 148( 17): 1-6 art. 171101.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1063/1.5030083
Artigo de periodico
Electron-impact electronic-state excitation of para-benzoquinone (2018)
Jones, D. B.; Costa, R. F. da; Kossoski, F.; Bettega, M. H. F.; Brunger, M. J.; Lima, M. A. P.; Ferreira da Silva, F.; Limao-Vieira, P.; Garcia, G.; White, R. D.; Varella, Márcio Teixeira do Nascimento
Source: Journal of Chemical Physics. Unidade: IF
Subjects: FÍSICA MOLECULAR, ESPECTROMETRIA, ÍONS
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
JONES, D. B. et al. Electron-impact electronic-state excitation of para-benzoquinone. Journal of Chemical Physics, v. 148, n. 12, p. 124312, 2018Tradução . . Disponível em: https://aip.scitation.org/doi/10.1063/1.5023494?af=R. Acesso em: 15 nov. 2024.
APA
Jones, D. B., Costa, R. F. da, Kossoski, F., Bettega, M. H. F., Brunger, M. J., Lima, M. A. P., et al. (2018). Electron-impact electronic-state excitation of para-benzoquinone. Journal of Chemical Physics, 148( 12), 124312. doi:10.1063/1.5023494
NLM
Jones DB, Costa RF da, Kossoski F, Bettega MHF, Brunger MJ, Lima MAP, Ferreira da Silva F, Limao-Vieira P, Garcia G, White RD, Varella MT do N. Electron-impact electronic-state excitation of para-benzoquinone [Internet]. Journal of Chemical Physics. 2018 ; 148( 12): 124312.[citado 2024 nov. 15 ] Available from: https://aip.scitation.org/doi/10.1063/1.5023494?af=R
Vancouver
Jones DB, Costa RF da, Kossoski F, Bettega MHF, Brunger MJ, Lima MAP, Ferreira da Silva F, Limao-Vieira P, Garcia G, White RD, Varella MT do N. Electron-impact electronic-state excitation of para-benzoquinone [Internet]. Journal of Chemical Physics. 2018 ; 148( 12): 124312.[citado 2024 nov. 15 ] Available from: https://aip.scitation.org/doi/10.1063/1.5023494?af=R

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