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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: 08 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. 08 ] 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. 08 ] Available from: https://dx.doi.org/10.1063/5.0196853
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 . . Acesso em: 08 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:10.1063/5.0203247
NLM
Kiataki MB, Coutinho KR, Varella MT do N. Toward a numerically efficient description of bulk-solvated anionic states. Journal of Chemical Physics. 2024 ; 161( 3):[citado 2024 nov. 08 ]
Vancouver
Kiataki MB, Coutinho KR, Varella MT do N. Toward a numerically efficient description of bulk-solvated anionic states. Journal of Chemical Physics. 2024 ; 161( 3):[citado 2024 nov. 08 ]
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: 08 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. 08 ] 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. 08 ] 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: 08 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. 08 ] 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. 08 ] Available from: https://doi.org/10.1063/5.0234654
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: 08 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. 08 ] 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. 08 ] 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: 08 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. 08 ] 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. 08 ] 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: 08 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. 08 ] 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. 08 ] 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: 08 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. 08 ] 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. 08 ] 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: 08 nov. 2024.
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 2024 nov. 08 ] 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. 08 ] 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: 08 nov. 2024.
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 2024 nov. 08 ] 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. 08 ] 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: 08 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. 08 ] 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. 08 ] 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: 08 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. 08 ] 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. 08 ] 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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ABNT
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: 08 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. 08 ] 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. 08 ] 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: 08 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. 08 ] 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. 08 ] 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
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
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: 08 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. 08 ] 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. 08 ] 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
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
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: 08 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. 08 ] 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. 08 ] 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
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
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: 08 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. 08 ] 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. 08 ] 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: 08 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. 08 ] 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. 08 ] 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: 08 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. 08 ] 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. 08 ] 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: 08 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. 08 ] 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. 08 ] Available from: https://doi.org/10.1063/1.5019431

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