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Artigo de periodico
Theoretical investigation of (La4O6)n, (La2Ce2O7)n, and (Ce4O8)n nanoclusters (n = 10, 18): temperature effects and O-vacancy formation (2024)
Mocelim, Maurício ; Santos, Mylena N ; Bittencourt, Albert F. B ; Lourenço, Tuanan da Costa ; Silva, Juarez Lopes Ferreira da
Source: The Journal of Chemical Physics. Unidade: IQSC
Subjects: CATÁLISE, CATALISADORES, PROCESSOS QUÍMICOS, NANOPARTÍCULAS
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MOCELIM, Maurício et al. Theoretical investigation of (La4O6)n, (La2Ce2O7)n, and (Ce4O8)n nanoclusters (n = 10, 18): temperature effects and O-vacancy formation. The Journal of Chemical Physics, v. 160, 2024Tradução . . Disponível em: https://doi.org/10.1063/5.0196840. Acesso em: 29 maio 2024.
APA
Mocelim, M., Santos, M. N., Bittencourt, A. F. B., Lourenço, T. da C., & Silva, J. L. F. da. (2024). Theoretical investigation of (La4O6)n, (La2Ce2O7)n, and (Ce4O8)n nanoclusters (n = 10, 18): temperature effects and O-vacancy formation. The Journal of Chemical Physics, 160. doi:10.1063/5.0196840
NLM
Mocelim M, Santos MN, Bittencourt AFB, Lourenço T da C, Silva JLF da. Theoretical investigation of (La4O6)n, (La2Ce2O7)n, and (Ce4O8)n nanoclusters (n = 10, 18): temperature effects and O-vacancy formation [Internet]. The Journal of Chemical Physics. 2024 ; 160[citado 2024 maio 29 ] Available from: https://doi.org/10.1063/5.0196840
Vancouver
Mocelim M, Santos MN, Bittencourt AFB, Lourenço T da C, Silva JLF da. Theoretical investigation of (La4O6)n, (La2Ce2O7)n, and (Ce4O8)n nanoclusters (n = 10, 18): temperature effects and O-vacancy formation [Internet]. The Journal of Chemical Physics. 2024 ; 160[citado 2024 maio 29 ] Available from: https://doi.org/10.1063/5.0196840
Artigo de periodico
Computational screening of silver-based single-atom alloys catalysts for CO2 reduction (2024)
B. Neto, Marionir M. C.; Verga, Lucas Garcia ; Silva, Juarez Lopes Ferreira da ; Galvão, Breno R. L.
Source: The Journal of Chemical Physics. Unidade: IQSC
Subjects: CATALISADORES, PRATA
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B. NETO, Marionir M. C. et al. Computational screening of silver-based single-atom alloys catalysts for CO2 reduction. The Journal of Chemical Physics, v. 160, p. 094706, 2024Tradução . . Disponível em: https://doi.org/10.1063/5.0192055. Acesso em: 29 maio 2024.
APA
B. Neto, M. M. C., Verga, L. G., Silva, J. L. F. da, & Galvão, B. R. L. (2024). Computational screening of silver-based single-atom alloys catalysts for CO2 reduction. The Journal of Chemical Physics, 160, 094706. doi:10.1063/5.0192055
NLM
B. Neto MMC, Verga LG, Silva JLF da, Galvão BRL. Computational screening of silver-based single-atom alloys catalysts for CO2 reduction [Internet]. The Journal of Chemical Physics. 2024 ;160 094706.[citado 2024 maio 29 ] Available from: https://doi.org/10.1063/5.0192055
Vancouver
B. Neto MMC, Verga LG, Silva JLF da, Galvão BRL. Computational screening of silver-based single-atom alloys catalysts for CO2 reduction [Internet]. The Journal of Chemical Physics. 2024 ;160 094706.[citado 2024 maio 29 ] Available from: https://doi.org/10.1063/5.0192055
Artigo de periodico
Elucidating the conformational change and electronic absorption spectrum of p-dimethylamino-cinnamaldehyde merocyanine across different solvent polarities (2023)
Franco, Leandro ; Fonseca, Tertius ; Coutinho, Kaline ; Georg, Herbert C.
Source: The Journal of Chemical Physics. Unidade: IF
Subjects: FÍSICA MOLECULAR, FÍSICO-QUÍMICA, MÉTODO DE MONTE CARLO, MECÂNICA QUÂNTICA, ESPECTROSCOPIA DE ABSORÇÃO ATÔMICA, CORANTES FLUORESCENTES, SOLVENTE
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FRANCO, Leandro et al. Elucidating the conformational change and electronic absorption spectrum of p-dimethylamino-cinnamaldehyde merocyanine across different solvent polarities. The Journal of Chemical Physics, v. 159, n. 7, 2023Tradução . . Disponível em: https://doi.org/10.1063/5.0158994. Acesso em: 29 maio 2024.
APA
Franco, L., Fonseca, T., Coutinho, K., & Georg, H. C. (2023). Elucidating the conformational change and electronic absorption spectrum of p-dimethylamino-cinnamaldehyde merocyanine across different solvent polarities. The Journal of Chemical Physics, 159( 7). doi:10.1063/5.0158994
NLM
Franco L, Fonseca T, Coutinho K, Georg HC. Elucidating the conformational change and electronic absorption spectrum of p-dimethylamino-cinnamaldehyde merocyanine across different solvent polarities [Internet]. The Journal of Chemical Physics. 2023 ; 159( 7):[citado 2024 maio 29 ] Available from: https://doi.org/10.1063/5.0158994
Vancouver
Franco L, Fonseca T, Coutinho K, Georg HC. Elucidating the conformational change and electronic absorption spectrum of p-dimethylamino-cinnamaldehyde merocyanine across different solvent polarities [Internet]. The Journal of Chemical Physics. 2023 ; 159( 7):[citado 2024 maio 29 ] Available from: https://doi.org/10.1063/5.0158994
Artigo de periodico
The rate of thermodynamic cost against adiabatic and nonadiabatic fluctuations of a single gene circuit in Drosophila embryos (2022)
Zhang, Kun; Ramos, Alexandre Ferreira; Wang, Erkang; Wang, Jin
Source: The Journal of Chemical Physics. Unidade: EACH
Assunto: DINÂMICA ESTOCÁSTICA
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ZHANG, Kun et al. The rate of thermodynamic cost against adiabatic and nonadiabatic fluctuations of a single gene circuit in Drosophila embryos. The Journal of Chemical Physics, p. 01-17, 2022Tradução . . Disponível em: https://aip.scitation.org/doi/pdf/10.1063/5.0091710. Acesso em: 29 maio 2024.
APA
Zhang, K., Ramos, A. F., Wang, E., & Wang, J. (2022). The rate of thermodynamic cost against adiabatic and nonadiabatic fluctuations of a single gene circuit in Drosophila embryos. The Journal of Chemical Physics, 01-17. Recuperado de https://aip.scitation.org/doi/pdf/10.1063/5.0091710
NLM
Zhang K, Ramos AF, Wang E, Wang J. The rate of thermodynamic cost against adiabatic and nonadiabatic fluctuations of a single gene circuit in Drosophila embryos [Internet]. The Journal of Chemical Physics. 2022 ; 01-17.[citado 2024 maio 29 ] Available from: https://aip.scitation.org/doi/pdf/10.1063/5.0091710
Vancouver
Zhang K, Ramos AF, Wang E, Wang J. The rate of thermodynamic cost against adiabatic and nonadiabatic fluctuations of a single gene circuit in Drosophila embryos [Internet]. The Journal of Chemical Physics. 2022 ; 01-17.[citado 2024 maio 29 ] Available from: https://aip.scitation.org/doi/pdf/10.1063/5.0091710
Artigo de periodico
Ab initio investigation of the role of the d-states on the adsorption and activation properties of CO2 on 3d, 4d, and 5d transition-metal clusters (2022)
Collacique, Matheus N; Restrepo, Vivianne k ; Silva, Juarez Lopes Ferreira da
Source: The Journal of Chemical Physics. Unidade: IQSC
Subjects: CLUSTERS, ADSORÇÃO
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COLLACIQUE, Matheus N e RESTREPO, Vivianne k e SILVA, Juarez Lopes Ferreira da. Ab initio investigation of the role of the d-states on the adsorption and activation properties of CO2 on 3d, 4d, and 5d transition-metal clusters. The Journal of Chemical Physics, v. 156, p. 124106-1, 2022Tradução . . Disponível em: https://aip.scitation.org/doi/pdf/10.1063/5.0085364. Acesso em: 29 maio 2024.
APA
Collacique, M. N., Restrepo, V. k, & Silva, J. L. F. da. (2022). Ab initio investigation of the role of the d-states on the adsorption and activation properties of CO2 on 3d, 4d, and 5d transition-metal clusters. The Journal of Chemical Physics, 156, 124106-1. doi:10.1063/5.0085364
NLM
Collacique MN, Restrepo V k, Silva JLF da. Ab initio investigation of the role of the d-states on the adsorption and activation properties of CO2 on 3d, 4d, and 5d transition-metal clusters [Internet]. The Journal of Chemical Physics. 2022 ;156 124106-1.[citado 2024 maio 29 ] Available from: https://aip.scitation.org/doi/pdf/10.1063/5.0085364
Vancouver
Collacique MN, Restrepo V k, Silva JLF da. Ab initio investigation of the role of the d-states on the adsorption and activation properties of CO2 on 3d, 4d, and 5d transition-metal clusters [Internet]. The Journal of Chemical Physics. 2022 ;156 124106-1.[citado 2024 maio 29 ] Available from: https://aip.scitation.org/doi/pdf/10.1063/5.0085364
Artigo de periodico
Ab initio study of the adsorption properties of CO2 reduction intermediates: the effect of Ni5Ga3 alloy and the Ni5Ga3/ZrO2 interface (2022)
Sousa, Rafael A. De; Ocampo-Restrepo, Vivianne K. ; Verga, Lucas Garcia ; Silva, Juarez Lopes Ferreira da
Source: The Journal of Chemical Physics. Unidade: IQSC
Subjects: FÍSICO-QUÍMICA, ADSORÇÃO, REDUÇÃO, GÁS CARBÔNICO
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SOUSA, Rafael A. De et al. Ab initio study of the adsorption properties of CO2 reduction intermediates: the effect of Ni5Ga3 alloy and the Ni5Ga3/ZrO2 interface. The Journal of Chemical Physics, v. 156, p. 214106, 2022Tradução . . Disponível em: https://doi.org/10.1063/5.0091145. Acesso em: 29 maio 2024.
APA
Sousa, R. A. D., Ocampo-Restrepo, V. K., Verga, L. G., & Silva, J. L. F. da. (2022). Ab initio study of the adsorption properties of CO2 reduction intermediates: the effect of Ni5Ga3 alloy and the Ni5Ga3/ZrO2 interface. The Journal of Chemical Physics, 156, 214106. doi:10.1063/5.0091145
NLM
Sousa RAD, Ocampo-Restrepo VK, Verga LG, Silva JLF da. Ab initio study of the adsorption properties of CO2 reduction intermediates: the effect of Ni5Ga3 alloy and the Ni5Ga3/ZrO2 interface [Internet]. The Journal of Chemical Physics. 2022 ; 156 214106.[citado 2024 maio 29 ] Available from: https://doi.org/10.1063/5.0091145
Vancouver
Sousa RAD, Ocampo-Restrepo VK, Verga LG, Silva JLF da. Ab initio study of the adsorption properties of CO2 reduction intermediates: the effect of Ni5Ga3 alloy and the Ni5Ga3/ZrO2 interface [Internet]. The Journal of Chemical Physics. 2022 ; 156 214106.[citado 2024 maio 29 ] Available from: https://doi.org/10.1063/5.0091145
Artigo de periodico
On the time-dependent electrolyte Seebeck effect (2021)
Sehnem, Andre ; Janssen, Mathijs
Source: The Journal of Chemical Physics. Unidade: IF
Subjects: TERMODINÂMICA (FÍSICO-QUÍMICA), TERMOELETRICIDADE, ELETROSTÁTICA
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SEHNEM, Andre e JANSSEN, Mathijs. On the time-dependent electrolyte Seebeck effect. The Journal of Chemical Physics, v. 154, n. 16, 2021Tradução . . Disponível em: https://doi.org/10.1063/5.0045137. Acesso em: 29 maio 2024.
APA
Sehnem, A., & Janssen, M. (2021). On the time-dependent electrolyte Seebeck effect. The Journal of Chemical Physics, 154( 16). doi:10.1063/5.0045137
NLM
Sehnem A, Janssen M. On the time-dependent electrolyte Seebeck effect [Internet]. The Journal of Chemical Physics. 2021 ; 154( 16):[citado 2024 maio 29 ] Available from: https://doi.org/10.1063/5.0045137
Vancouver
Sehnem A, Janssen M. On the time-dependent electrolyte Seebeck effect [Internet]. The Journal of Chemical Physics. 2021 ; 154( 16):[citado 2024 maio 29 ] Available from: https://doi.org/10.1063/5.0045137
Artigo de periodico
The Devil’s Triangle of Kohn–Sham density functional theory and excited states (2021)
Mendes, Rodrigo Araujo ; Haiduke, Roberto Luiz Andrade ; Bartlett, Rodney J
Source: The Journal of Chemical Physics. Unidade: IQSC
Assunto: QUÍMICA QUÂNTICA
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MENDES, Rodrigo Araujo e HAIDUKE, Roberto Luiz Andrade e BARTLETT, Rodney J. The Devil’s Triangle of Kohn–Sham density functional theory and excited states. The Journal of Chemical Physics, v. 154, p. 074106, 2021Tradução . . Disponível em: https://doi.org/10.1063/5.0035446. Acesso em: 29 maio 2024.
APA
Mendes, R. A., Haiduke, R. L. A., & Bartlett, R. J. (2021). The Devil’s Triangle of Kohn–Sham density functional theory and excited states. The Journal of Chemical Physics, 154, 074106. doi:10.1063/5.0035446
NLM
Mendes RA, Haiduke RLA, Bartlett RJ. The Devil’s Triangle of Kohn–Sham density functional theory and excited states [Internet]. The Journal of Chemical Physics. 2021 ; 154 074106.[citado 2024 maio 29 ] Available from: https://doi.org/10.1063/5.0035446
Vancouver
Mendes RA, Haiduke RLA, Bartlett RJ. The Devil’s Triangle of Kohn–Sham density functional theory and excited states [Internet]. The Journal of Chemical Physics. 2021 ; 154 074106.[citado 2024 maio 29 ] Available from: https://doi.org/10.1063/5.0035446
Artigo de periodico
Publisher’s Note: On the time-dependent electrolyte Seebeck effect (2021)
Sehnem, André Luiz ; Janssen, Mathijs
Source: The Journal of Chemical Physics. Unidade: IF
Subjects: TERMODINÂMICA (FÍSICO-QUÍMICA), TERMOELETRICIDADE, ELETROSTÁTICA
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SEHNEM, André Luiz e JANSSEN, Mathijs. Publisher’s Note: On the time-dependent electrolyte Seebeck effect. The Journal of Chemical Physics, v. 154, 2021Tradução . . Disponível em: https://doi.org/10.1063/5.0055838. Acesso em: 29 maio 2024.
APA
Sehnem, A. L., & Janssen, M. (2021). Publisher’s Note: On the time-dependent electrolyte Seebeck effect. The Journal of Chemical Physics, 154. doi:10.1063/5.0055838
NLM
Sehnem AL, Janssen M. Publisher’s Note: On the time-dependent electrolyte Seebeck effect [Internet]. The Journal of Chemical Physics. 2021 ; 154[citado 2024 maio 29 ] Available from: https://doi.org/10.1063/5.0055838
Vancouver
Sehnem AL, Janssen M. Publisher’s Note: On the time-dependent electrolyte Seebeck effect [Internet]. The Journal of Chemical Physics. 2021 ; 154[citado 2024 maio 29 ] Available from: https://doi.org/10.1063/5.0055838
Artigo de periodico
The relativistic effects on the methane activation by gold(I) cations (2021)
Santiago, Regis Tadeu ; Vichietti, Rafael M.; Machado, Francisco B. C.; Haiduke, Roberto Luiz Andrade
Source: The Journal of Chemical Physics. Unidade: IQSC
Subjects: METANO, OURO
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ABNT
SANTIAGO, Regis Tadeu et al. The relativistic effects on the methane activation by gold(I) cations. The Journal of Chemical Physics, v. 154, p. 244113, 2021Tradução . . Disponível em: https://doi.org/10.1063/5.0053881. Acesso em: 29 maio 2024.
APA
Santiago, R. T., Vichietti, R. M., Machado, F. B. C., & Haiduke, R. L. A. (2021). The relativistic effects on the methane activation by gold(I) cations. The Journal of Chemical Physics, 154, 244113. doi:10.1063/5.0053881
NLM
Santiago RT, Vichietti RM, Machado FBC, Haiduke RLA. The relativistic effects on the methane activation by gold(I) cations [Internet]. The Journal of Chemical Physics. 2021 ;154 244113.[citado 2024 maio 29 ] Available from: https://doi.org/10.1063/5.0053881
Vancouver
Santiago RT, Vichietti RM, Machado FBC, Haiduke RLA. The relativistic effects on the methane activation by gold(I) cations [Internet]. The Journal of Chemical Physics. 2021 ;154 244113.[citado 2024 maio 29 ] Available from: https://doi.org/10.1063/5.0053881
Artigo de periodico
Solvent effects on the π∗ shape resonances of uracil (2020)
Cornetta, L. M. ; Coutinhho, K. ; Varella, M. T. do N.
Source: The Journal of Chemical Physics. Unidade: IF
Subjects: FÍSICO-QUÍMICA, SOLVENTE, MODELAGEM MOLECULAR, ESPECTROSCOPIA ATÔMICA, COLISÕES DE ÍONS PESADOS RELATIVÍSTICOS, ESPALHAMENTO, RADIAÇÃO IONIZANTE, ELÉTRONS, FLUÍDOS COMPLEXOS
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CORNETTA, L. M. e COUTINHHO, K. e VARELLA, M. T. do N. Solvent effects on the π∗ shape resonances of uracil. The Journal of Chemical Physics, v. 152, 2020Tradução . . Disponível em: https://doi.org/10.1063/1.5139459. Acesso em: 29 maio 2024.
APA
Cornetta, L. M., Coutinhho, K., & Varella, M. T. do N. (2020). Solvent effects on the π∗ shape resonances of uracil. The Journal of Chemical Physics, 152. doi:10.1063/1.5139459
NLM
Cornetta LM, Coutinhho K, Varella MT do N. Solvent effects on the π∗ shape resonances of uracil [Internet]. The Journal of Chemical Physics. 2020 ; 152[citado 2024 maio 29 ] Available from: https://doi.org/10.1063/1.5139459
Vancouver
Cornetta LM, Coutinhho K, Varella MT do N. Solvent effects on the π∗ shape resonances of uracil [Internet]. The Journal of Chemical Physics. 2020 ; 152[citado 2024 maio 29 ] Available from: https://doi.org/10.1063/1.5139459
Artigo de periodico
Simulations of electrolyte between charged metal surfaces (2020)
Malossi, Rodrigo M. ; Girotto, Matheus; Santos, Alexandre P. dos ; Levin, Yan
Source: The Journal of Chemical Physics. Unidade: IF
Subjects: MECÂNICA ESTATÍSTICA, EQUAÇÕES DIFERENCIAIS, MÉTODO DE MONTE CARLO, POLARIZAÇÃO, QUÍMICA COLOIDAL, ELETROSTÁTICA, FORÇAS INTERMOLECULARES, ELETRÓLITOS, NANOPARTÍCULAS, DIELÉTRICOS
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MALOSSI, Rodrigo M. et al. Simulations of electrolyte between charged metal surfaces. The Journal of Chemical Physics, v. 153, n. 4, 2020Tradução . . Disponível em: https://doi.org/10.1063/5.0012073. Acesso em: 29 maio 2024.
APA
Malossi, R. M., Girotto, M., Santos, A. P. dos, & Levin, Y. (2020). Simulations of electrolyte between charged metal surfaces. The Journal of Chemical Physics, 153( 4). doi:10.1063/5.0012073
NLM
Malossi RM, Girotto M, Santos AP dos, Levin Y. Simulations of electrolyte between charged metal surfaces [Internet]. The Journal of Chemical Physics. 2020 ; 153( 4):[citado 2024 maio 29 ] Available from: https://doi.org/10.1063/5.0012073
Vancouver
Malossi RM, Girotto M, Santos AP dos, Levin Y. Simulations of electrolyte between charged metal surfaces [Internet]. The Journal of Chemical Physics. 2020 ; 153( 4):[citado 2024 maio 29 ] Available from: https://doi.org/10.1063/5.0012073
Artigo de periodico
Direct diabatization and analytic representation of coupled potential energy surfaces and couplings for the reactive quenching of the excited 2Σ+ state of OH by molecular hydrogen (2019)
Shu, Yinan; Kryven, Joanna; Oliveira Filho, Antonio Gustavo Sampaio de ; Zhang, Linyao; Song, Guo-Liang; Li, Shaohong L.; Meana-Pañeda, Rubén; Fu, Bina; Bowman, Joel M.; Truhlar, Donald G.
Source: The Journal of Chemical Physics. Unidade: FFCLRP
Subjects: ALGORITMOS, COMPUTAÇÃO GRÁFICA, ORBITAL MOLECULAR
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SHU, Yinan et al. Direct diabatization and analytic representation of coupled potential energy surfaces and couplings for the reactive quenching of the excited 2Σ+ state of OH by molecular hydrogen. The Journal of Chemical Physics, v. 151, n. 10, 2019Tradução . . Disponível em: https://doi.org/10.1063/1.5111547. Acesso em: 29 maio 2024.
APA
Shu, Y., Kryven, J., Oliveira Filho, A. G. S. de, Zhang, L., Song, G. -L., Li, S. L., et al. (2019). Direct diabatization and analytic representation of coupled potential energy surfaces and couplings for the reactive quenching of the excited 2Σ+ state of OH by molecular hydrogen. The Journal of Chemical Physics, 151( 10). doi:10.1063/1.5111547
NLM
Shu Y, Kryven J, Oliveira Filho AGS de, Zhang L, Song G-L, Li SL, Meana-Pañeda R, Fu B, Bowman JM, Truhlar DG. Direct diabatization and analytic representation of coupled potential energy surfaces and couplings for the reactive quenching of the excited 2Σ+ state of OH by molecular hydrogen [Internet]. The Journal of Chemical Physics. 2019 ; 151( 10):[citado 2024 maio 29 ] Available from: https://doi.org/10.1063/1.5111547
Vancouver
Shu Y, Kryven J, Oliveira Filho AGS de, Zhang L, Song G-L, Li SL, Meana-Pañeda R, Fu B, Bowman JM, Truhlar DG. Direct diabatization and analytic representation of coupled potential energy surfaces and couplings for the reactive quenching of the excited 2Σ+ state of OH by molecular hydrogen [Internet]. The Journal of Chemical Physics. 2019 ; 151( 10):[citado 2024 maio 29 ] Available from: https://doi.org/10.1063/1.5111547
Artigo de periodico
Thermodynamic properties of 55-atom Pt-based nanoalloys: Phase changes and structural effects on the electronic properties (2019)
Cezar, Henrique Musseli ; Rondina, Gustavo Garcia ; Silva, Juarez Lopes Ferreira da
Source: The Journal of Chemical Physics. Unidades: IQSC, IF
Assunto: TERMODINÂMICA
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ABNT
CEZAR, Henrique Musseli e RONDINA, Gustavo Garcia e SILVA, Juarez Lopes Ferreira da. Thermodynamic properties of 55-atom Pt-based nanoalloys: Phase changes and structural effects on the electronic properties. The Journal of Chemical Physics, v. 151, 2019Tradução . . Disponível em: https://doi.org/10.1063/1.5125689. Acesso em: 29 maio 2024.
APA
Cezar, H. M., Rondina, G. G., & Silva, J. L. F. da. (2019). Thermodynamic properties of 55-atom Pt-based nanoalloys: Phase changes and structural effects on the electronic properties. The Journal of Chemical Physics, 151. doi:10.1063/1.5125689
NLM
Cezar HM, Rondina GG, Silva JLF da. Thermodynamic properties of 55-atom Pt-based nanoalloys: Phase changes and structural effects on the electronic properties [Internet]. The Journal of Chemical Physics. 2019 ; 151[citado 2024 maio 29 ] Available from: https://doi.org/10.1063/1.5125689
Vancouver
Cezar HM, Rondina GG, Silva JLF da. Thermodynamic properties of 55-atom Pt-based nanoalloys: Phase changes and structural effects on the electronic properties [Internet]. The Journal of Chemical Physics. 2019 ; 151[citado 2024 maio 29 ] Available from: https://doi.org/10.1063/1.5125689
Artigo de periodico
Ab initio investigation of the atomistic descriptors in the activation of small molecules on 3d transition-metal 13-atom clusters: The example of H2, CO, H2O, and CO2 (2019)
Restrepo, Vivianne k ; Besse, Larissa Zibordi ; Silva, Juarez Lopes Ferreira da
Source: The Journal of Chemical Physics. Unidade: IQSC
Subjects: CLUSTERS, MOLÉCULA
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RESTREPO, Vivianne k e BESSE, Larissa Zibordi e SILVA, Juarez Lopes Ferreira da. Ab initio investigation of the atomistic descriptors in the activation of small molecules on 3d transition-metal 13-atom clusters: The example of H2, CO, H2O, and CO2. The Journal of Chemical Physics, v. 151, 2019Tradução . . Disponível em: https://doi.org/10.1063/1.5125769. Acesso em: 29 maio 2024.
APA
Restrepo, V. k, Besse, L. Z., & Silva, J. L. F. da. (2019). Ab initio investigation of the atomistic descriptors in the activation of small molecules on 3d transition-metal 13-atom clusters: The example of H2, CO, H2O, and CO2. The Journal of Chemical Physics, 151. doi:10.1063/1.5125769
NLM
Restrepo V k, Besse LZ, Silva JLF da. Ab initio investigation of the atomistic descriptors in the activation of small molecules on 3d transition-metal 13-atom clusters: The example of H2, CO, H2O, and CO2 [Internet]. The Journal of Chemical Physics. 2019 ; 151[citado 2024 maio 29 ] Available from: https://doi.org/10.1063/1.5125769
Vancouver
Restrepo V k, Besse LZ, Silva JLF da. Ab initio investigation of the atomistic descriptors in the activation of small molecules on 3d transition-metal 13-atom clusters: The example of H2, CO, H2O, and CO2 [Internet]. The Journal of Chemical Physics. 2019 ; 151[citado 2024 maio 29 ] Available from: https://doi.org/10.1063/1.5125769
Artigo de periodico
Accurate nuclear quadrupole moment of ruthenium from the molecular method (2019)
Gusmão, Eriosvaldo Florentino ; Santiago, Regis Tadeu ; Haiduke, Roberto Luiz Andrade
Source: The Journal of Chemical Physics. Unidade: IQSC
Subjects: QUÍMICA TEÓRICA, RUTÊNIO
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ABNT
GUSMÃO, Eriosvaldo Florentino e SANTIAGO, Regis Tadeu e HAIDUKE, Roberto Luiz Andrade. Accurate nuclear quadrupole moment of ruthenium from the molecular method. The Journal of Chemical Physics, v. 151. 194306 (1-5), 2019Tradução . . Disponível em: https://doi.org/10.1063/1.5128655. Acesso em: 29 maio 2024.
APA
Gusmão, E. F., Santiago, R. T., & Haiduke, R. L. A. (2019). Accurate nuclear quadrupole moment of ruthenium from the molecular method. The Journal of Chemical Physics, 151. 194306 (1-5). doi:10.1063/1.5128655
NLM
Gusmão EF, Santiago RT, Haiduke RLA. Accurate nuclear quadrupole moment of ruthenium from the molecular method [Internet]. The Journal of Chemical Physics. 2019 ; 151. 194306 (1-5)[citado 2024 maio 29 ] Available from: https://doi.org/10.1063/1.5128655
Vancouver
Gusmão EF, Santiago RT, Haiduke RLA. Accurate nuclear quadrupole moment of ruthenium from the molecular method [Internet]. The Journal of Chemical Physics. 2019 ; 151. 194306 (1-5)[citado 2024 maio 29 ] Available from: https://doi.org/10.1063/1.5128655
Artigo de periodico
Fast coarse-grained model for RNA titration (2017)
Silva, Fernando Luis Barroso; Derreumaux, Philippe; Pasquali, Samuela
Source: The Journal of Chemical Physics. Unidade: FCFRP
Subjects: RNA, PROTEÍNAS, MÉTODO DE MONTE CARLO, BACTÉRIAS
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
SILVA, Fernando Luis Barroso e DERREUMAUX, Philippe e PASQUALI, Samuela. Fast coarse-grained model for RNA titration. The Journal of Chemical Physics, v. 146, n. 3, p. 035101-1-035101-9, 2017Tradução . . Disponível em: https://doi.org/10.1063/1.4972986. Acesso em: 29 maio 2024.
APA
Silva, F. L. B., Derreumaux, P., & Pasquali, S. (2017). Fast coarse-grained model for RNA titration. The Journal of Chemical Physics, 146( 3), 035101-1-035101-9. doi:10.1063/1.4972986
NLM
Silva FLB, Derreumaux P, Pasquali S. Fast coarse-grained model for RNA titration [Internet]. The Journal of Chemical Physics. 2017 ; 146( 3): 035101-1-035101-9.[citado 2024 maio 29 ] Available from: https://doi.org/10.1063/1.4972986
Vancouver
Silva FLB, Derreumaux P, Pasquali S. Fast coarse-grained model for RNA titration [Internet]. The Journal of Chemical Physics. 2017 ; 146( 3): 035101-1-035101-9.[citado 2024 maio 29 ] Available from: https://doi.org/10.1063/1.4972986
Artigo de periodico
A theoretical investigation of the structural and electronic properties of 55-atom nanoclusters: The examples of Y–Tc and Pt (2016)
Batista, Krys E. A.; Piotrowski, Maurício Jeomar; Chaves, Anderson Silva; Silva, Juarez Lopes Ferreira da
Source: The Journal of Chemical Physics. Unidade: IQSC
Subjects: ÁTOMOS, FÍSICA TEÓRICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
BATISTA, Krys E. A. et al. A theoretical investigation of the structural and electronic properties of 55-atom nanoclusters: The examples of Y–Tc and Pt. The Journal of Chemical Physics, v. 144, 2016Tradução . . Disponível em: https://doi.org/10.1063/1.4941295. Acesso em: 29 maio 2024.
APA
Batista, K. E. A., Piotrowski, M. J., Chaves, A. S., & Silva, J. L. F. da. (2016). A theoretical investigation of the structural and electronic properties of 55-atom nanoclusters: The examples of Y–Tc and Pt. The Journal of Chemical Physics, 144. doi:10.1063/1.4941295
NLM
Batista KEA, Piotrowski MJ, Chaves AS, Silva JLF da. A theoretical investigation of the structural and electronic properties of 55-atom nanoclusters: The examples of Y–Tc and Pt [Internet]. The Journal of Chemical Physics. 2016 ; 144[citado 2024 maio 29 ] Available from: https://doi.org/10.1063/1.4941295
Vancouver
Batista KEA, Piotrowski MJ, Chaves AS, Silva JLF da. A theoretical investigation of the structural and electronic properties of 55-atom nanoclusters: The examples of Y–Tc and Pt [Internet]. The Journal of Chemical Physics. 2016 ; 144[citado 2024 maio 29 ] Available from: https://doi.org/10.1063/1.4941295
Artigo de periodico
A theoretical study of 'SN''F POT. 2+', 'SN''CL POT. 2+', and 'SN'O POT. 2+' and their experimental search (2012)
Batista, Ana Paula de Lima; Lima, José Carlos Barreto de; Franzreb, Klaus; Ornellas, Fernando Rei
Source: The Journal of Chemical Physics. Unidade: IQ
Subjects: TERMOQUÍMICA, ESPECTROSCOPIA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
BATISTA, Ana Paula de Lima et al. A theoretical study of 'SN''F POT. 2+', 'SN''CL POT. 2+', and 'SN'O POT. 2+' and their experimental search. The Journal of Chemical Physics, v. 137, n. 15 art. 154302, p. 1-8, 2012Tradução . . Disponível em: https://doi.org/10.1063/1.4758475. Acesso em: 29 maio 2024.
APA
Batista, A. P. de L., Lima, J. C. B. de, Franzreb, K., & Ornellas, F. R. (2012). A theoretical study of 'SN''F POT. 2+', 'SN''CL POT. 2+', and 'SN'O POT. 2+' and their experimental search. The Journal of Chemical Physics, 137( 15 art. 154302), 1-8. doi:10.1063/1.4758475
NLM
Batista AP de L, Lima JCB de, Franzreb K, Ornellas FR. A theoretical study of 'SN''F POT. 2+', 'SN''CL POT. 2+', and 'SN'O POT. 2+' and their experimental search [Internet]. The Journal of Chemical Physics. 2012 ; 137( 15 art. 154302): 1-8.[citado 2024 maio 29 ] Available from: https://doi.org/10.1063/1.4758475
Vancouver
Batista AP de L, Lima JCB de, Franzreb K, Ornellas FR. A theoretical study of 'SN''F POT. 2+', 'SN''CL POT. 2+', and 'SN'O POT. 2+' and their experimental search [Internet]. The Journal of Chemical Physics. 2012 ; 137( 15 art. 154302): 1-8.[citado 2024 maio 29 ] Available from: https://doi.org/10.1063/1.4758475
Artigo de periodico
Delocalized water and fluoride contributions to Dyson orbitals for electron detachment from the hydrated fluoride anion (2010)
Canuto, Sylvio; Coutinho, Kaline Rabelo; Cabral, Benedito J Costa; Zakrzewski, V. G.; Ortiz, J. V.
Source: The Journal of Chemical Physics. Unidade: IF
Assunto: ESTRUTURA ELETRÔNICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
CANUTO, Sylvio et al. Delocalized water and fluoride contributions to Dyson orbitals for electron detachment from the hydrated fluoride anion. The Journal of Chemical Physics, 2010Tradução . . Disponível em: https://doi.org/10.1063/1.3431081. Acesso em: 29 maio 2024.
APA
Canuto, S., Coutinho, K. R., Cabral, B. J. C., Zakrzewski, V. G., & Ortiz, J. V. (2010). Delocalized water and fluoride contributions to Dyson orbitals for electron detachment from the hydrated fluoride anion. The Journal of Chemical Physics. doi:10.1063/1.3431081
NLM
Canuto S, Coutinho KR, Cabral BJC, Zakrzewski VG, Ortiz JV. Delocalized water and fluoride contributions to Dyson orbitals for electron detachment from the hydrated fluoride anion [Internet]. The Journal of Chemical Physics. 2010 ;[citado 2024 maio 29 ] Available from: https://doi.org/10.1063/1.3431081
Vancouver
Canuto S, Coutinho KR, Cabral BJC, Zakrzewski VG, Ortiz JV. Delocalized water and fluoride contributions to Dyson orbitals for electron detachment from the hydrated fluoride anion [Internet]. The Journal of Chemical Physics. 2010 ;[citado 2024 maio 29 ] Available from: https://doi.org/10.1063/1.3431081

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