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  • Source: Journal of Chemical Information and Modeling. Unidade: IQSC

    Subjects: ENERGIA, QUÍMICA TEÓRICA

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      GONZÁLEZ, José E. et al. Decoding Van der Waals Impact on Chirality Transfer in Perovskite Structures: Density Functional Theory Insights. Journal of Chemical Information and Modeling, v. 64, n. 4, p. 1306–1318, 2024Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.3c01895. Acesso em: 15 nov. 2024.
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      González, J. E., Besse, R., Lima, M. P., & Silva, J. L. F. da. (2024). Decoding Van der Waals Impact on Chirality Transfer in Perovskite Structures: Density Functional Theory Insights. Journal of Chemical Information and Modeling, 64( 4), 1306–1318. doi:10.1021/acs.jcim.3c01895
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      González JE, Besse R, Lima MP, Silva JLF da. Decoding Van der Waals Impact on Chirality Transfer in Perovskite Structures: Density Functional Theory Insights [Internet]. Journal of Chemical Information and Modeling. 2024 ;64( 4): 1306–1318.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1021/acs.jcim.3c01895
    • Vancouver

      González JE, Besse R, Lima MP, Silva JLF da. Decoding Van der Waals Impact on Chirality Transfer in Perovskite Structures: Density Functional Theory Insights [Internet]. Journal of Chemical Information and Modeling. 2024 ;64( 4): 1306–1318.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1021/acs.jcim.3c01895
  • Source: Journal of Catalysis. Unidade: IQSC

    Subjects: TEMPERATURA, ENERGIA, METANOL

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      SALAZAR, Enrique Adalberto Paredes et al. Unraveling the impact of temperature on the reaction kinetics of the electro-oxidation of methanol on Pt (100). Journal of Catalysis, v. 432, p. 115402, 2024Tradução . . Disponível em: https://doi.org/10.1016/j.jcat.2024.115402. Acesso em: 15 nov. 2024.
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      Salazar, E. A. P., Cárdenas, A. C., Herrero, E., & Varela, H. (2024). Unraveling the impact of temperature on the reaction kinetics of the electro-oxidation of methanol on Pt (100). Journal of Catalysis, 432, 115402. doi:10.1016/j.jcat.2024.115402
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      Salazar EAP, Cárdenas AC, Herrero E, Varela H. Unraveling the impact of temperature on the reaction kinetics of the electro-oxidation of methanol on Pt (100) [Internet]. Journal of Catalysis. 2024 ;432 115402.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1016/j.jcat.2024.115402
    • Vancouver

      Salazar EAP, Cárdenas AC, Herrero E, Varela H. Unraveling the impact of temperature on the reaction kinetics of the electro-oxidation of methanol on Pt (100) [Internet]. Journal of Catalysis. 2024 ;432 115402.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1016/j.jcat.2024.115402
  • Source: Current Opinion in Electrochemistry. Unidade: IQSC

    Subjects: ELETROCATÁLISE, METANOL, ENERGIA, SUSTENTABILIDADE

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      VARELA, Hamilton et al. Renewable methanol and the energy challenge: The role of electrocatalysis. Current Opinion in Electrochemistry, v. 46, 2024Tradução . . Disponível em: https://doi.org/10.1016/j.coelec.2024.101539. Acesso em: 15 nov. 2024.
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      Varela, H., Paredes-Salazar, E. A., Lima, F. H. B. de, & Eid, K. (2024). Renewable methanol and the energy challenge: The role of electrocatalysis. Current Opinion in Electrochemistry, 46. doi:10.1016/j.coelec.2024.101539
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      Varela H, Paredes-Salazar EA, Lima FHB de, Eid K. Renewable methanol and the energy challenge: The role of electrocatalysis [Internet]. Current Opinion in Electrochemistry. 2024 ; 46[citado 2024 nov. 15 ] Available from: https://doi.org/10.1016/j.coelec.2024.101539
    • Vancouver

      Varela H, Paredes-Salazar EA, Lima FHB de, Eid K. Renewable methanol and the energy challenge: The role of electrocatalysis [Internet]. Current Opinion in Electrochemistry. 2024 ; 46[citado 2024 nov. 15 ] Available from: https://doi.org/10.1016/j.coelec.2024.101539
  • Source: Materials Chemistry and Physics. Unidade: IFSC

    Subjects: ENERGIA, FERROELETRICIDADE, MATERIAIS CERÂMICOS (PROPRIEDADES)

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      ALKATHY, Mahmoud Saleh Mohammed et al. Enhanced energy-storage density of BaTi0.95Zr0.05O3 via generation of defect dipoles upon lithium-doping. Materials Chemistry and Physics, v. 294, n. Ja 2023, p. 127032-1-127032-12, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.matchemphys.2022.127032. Acesso em: 15 nov. 2024.
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      Alkathy, M. S. M., Rahaman, A. U., Mastelaro, V. R., Milton, F. P., Zabotto, F. L., Lente, M. H., et al. (2023). Enhanced energy-storage density of BaTi0.95Zr0.05O3 via generation of defect dipoles upon lithium-doping. Materials Chemistry and Physics, 294( Ja 2023), 127032-1-127032-12. doi:10.1016/j.matchemphys.2022.127032
    • NLM

      Alkathy MSM, Rahaman AU, Mastelaro VR, Milton FP, Zabotto FL, Lente MH, Strabello A, Eiras JA. Enhanced energy-storage density of BaTi0.95Zr0.05O3 via generation of defect dipoles upon lithium-doping [Internet]. Materials Chemistry and Physics. 2023 ; 294( Ja 2023): 127032-1-127032-12.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1016/j.matchemphys.2022.127032
    • Vancouver

      Alkathy MSM, Rahaman AU, Mastelaro VR, Milton FP, Zabotto FL, Lente MH, Strabello A, Eiras JA. Enhanced energy-storage density of BaTi0.95Zr0.05O3 via generation of defect dipoles upon lithium-doping [Internet]. Materials Chemistry and Physics. 2023 ; 294( Ja 2023): 127032-1-127032-12.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1016/j.matchemphys.2022.127032
  • Source: Computational Biology and Chemistry. Unidade: IFSC

    Subjects: MÉTODO DE MONTE CARLO, ENERGIA, CRISTALOGRAFIA

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      SOUZA, Joao Victor de e NOGUEIRA, Victor Henrique Rabesquine e NASCIMENTO, Alessandro Silva. Ligand binding free energy evaluation by Monte Carlo Recursion. Computational Biology and Chemistry, v. 103, p. 107830-1-107830-12 + supplementary material, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.compbiolchem.2023.107830. Acesso em: 15 nov. 2024.
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      Souza, J. V. de, Nogueira, V. H. R., & Nascimento, A. S. (2023). Ligand binding free energy evaluation by Monte Carlo Recursion. Computational Biology and Chemistry, 103, 107830-1-107830-12 + supplementary material. doi:10.1016/j.compbiolchem.2023.107830
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      Souza JV de, Nogueira VHR, Nascimento AS. Ligand binding free energy evaluation by Monte Carlo Recursion [Internet]. Computational Biology and Chemistry. 2023 ; 103 107830-1-107830-12 + supplementary material.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1016/j.compbiolchem.2023.107830
    • Vancouver

      Souza JV de, Nogueira VHR, Nascimento AS. Ligand binding free energy evaluation by Monte Carlo Recursion [Internet]. Computational Biology and Chemistry. 2023 ; 103 107830-1-107830-12 + supplementary material.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1016/j.compbiolchem.2023.107830
  • Source: Nonlinear Dynamics. Unidade: EESC

    Subjects: ENERGIA, PIEZOELETRICIDADE, ENGENHARIA MECÂNICA

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      NORENBERG, João Pedro et al. Correction to: Probabilistic maps on bistable vibration energy harvesters. Nonlinear Dynamics, v. 111, p. 20841, 2023Tradução . . Disponível em: http://dx.doi.org/10.1007/s11071-023-08974-x. Acesso em: 15 nov. 2024.
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      Norenberg, J. P., Cunha Junior, A., Silva, S. da, & Varoto, P. S. (2023). Correction to: Probabilistic maps on bistable vibration energy harvesters. Nonlinear Dynamics, 111, 20841. doi:10.1007/s11071-023-08974-x
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      Norenberg JP, Cunha Junior A, Silva S da, Varoto PS. Correction to: Probabilistic maps on bistable vibration energy harvesters [Internet]. Nonlinear Dynamics. 2023 ; 111 20841.[citado 2024 nov. 15 ] Available from: http://dx.doi.org/10.1007/s11071-023-08974-x
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      Norenberg JP, Cunha Junior A, Silva S da, Varoto PS. Correction to: Probabilistic maps on bistable vibration energy harvesters [Internet]. Nonlinear Dynamics. 2023 ; 111 20841.[citado 2024 nov. 15 ] Available from: http://dx.doi.org/10.1007/s11071-023-08974-x
  • Source: Journal of Physical Chemistry C. Unidade: IQSC

    Subjects: HIDROCARBONOS, ENERGIA, ÍONS

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      MORAES, PEDRO IVO RODRIGUES et al. Theoretical Insights into Methane Activation on Transition-Metal Single-Atom Catalysts Supported on the CeO2(111) Surface. Journal of Physical Chemistry C, v. 127, p. 16357–16366, 2023Tradução . . Disponível em: https://doi.org/10.1021/acs.jpcc.3c02653. Acesso em: 15 nov. 2024.
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      MORAES, P. E. D. R. O. I. V. O. R. O. D. R. I. G. U. E. S., Bittencourt, A. F. B., Andriani, K. F., & Silva, J. L. F. da. (2023). Theoretical Insights into Methane Activation on Transition-Metal Single-Atom Catalysts Supported on the CeO2(111) Surface. Journal of Physical Chemistry C, 127, 16357–16366. doi:10.1021/acs.jpcc.3c02653
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      MORAES PEDROIVORODRIGUES, Bittencourt AFB, Andriani KF, Silva JLF da. Theoretical Insights into Methane Activation on Transition-Metal Single-Atom Catalysts Supported on the CeO2(111) Surface [Internet]. Journal of Physical Chemistry C. 2023 ; 127 16357–16366.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1021/acs.jpcc.3c02653
    • Vancouver

      MORAES PEDROIVORODRIGUES, Bittencourt AFB, Andriani KF, Silva JLF da. Theoretical Insights into Methane Activation on Transition-Metal Single-Atom Catalysts Supported on the CeO2(111) Surface [Internet]. Journal of Physical Chemistry C. 2023 ; 127 16357–16366.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1021/acs.jpcc.3c02653
  • Source: Nonlinear Dynamics. Unidade: EESC

    Subjects: ENERGIA, PIEZOELETRICIDADE, ENGENHARIA MECÂNICA

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      NORENBERG, João Pedro et al. Probabilistic maps on bistable vibration energy harvesters. Nonlinear Dynamics, p. 1-20, 2023Tradução . . Disponível em: https://doi.org/10.1007/s11071-023-08864-2. Acesso em: 15 nov. 2024.
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      Norenberg, J. P., Cunha Junior, A., Silva, S. da, & Varoto, P. S. (2023). Probabilistic maps on bistable vibration energy harvesters. Nonlinear Dynamics, 1-20. doi:10.1007/s11071-023-08864-2
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      Norenberg JP, Cunha Junior A, Silva S da, Varoto PS. Probabilistic maps on bistable vibration energy harvesters [Internet]. Nonlinear Dynamics. 2023 ; 1-20.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1007/s11071-023-08864-2
    • Vancouver

      Norenberg JP, Cunha Junior A, Silva S da, Varoto PS. Probabilistic maps on bistable vibration energy harvesters [Internet]. Nonlinear Dynamics. 2023 ; 1-20.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1007/s11071-023-08864-2
  • Source: Optical Materials. Unidades: IFSC, EESC

    Subjects: FOTOLUMINESCÊNCIA, VIDRO CERÂMICO, GADOLÍNIO, ENERGIA

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      GALLEANI, Gustavo et al. Photoluminescence and X-ray induced scintillation in Gd3+-modified fluorophosphate glasses doped with Ce3+. Optical Materials, v. No 2022, p. 112934-1-112934-6, 2022Tradução . . Disponível em: https://doi.org/10.1016/j.optmat.2022.112934. Acesso em: 15 nov. 2024.
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      Galleani, G., Lodi, T. A., Mastelaro, V. R., Jacobsohn, L. G., & de Camargo, A. S. S. (2022). Photoluminescence and X-ray induced scintillation in Gd3+-modified fluorophosphate glasses doped with Ce3+. Optical Materials, No 2022, 112934-1-112934-6. doi:10.1016/j.optmat.2022.112934
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      Galleani G, Lodi TA, Mastelaro VR, Jacobsohn LG, de Camargo ASS. Photoluminescence and X-ray induced scintillation in Gd3+-modified fluorophosphate glasses doped with Ce3+ [Internet]. Optical Materials. 2022 ; No 2022 112934-1-112934-6.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1016/j.optmat.2022.112934
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      Galleani G, Lodi TA, Mastelaro VR, Jacobsohn LG, de Camargo ASS. Photoluminescence and X-ray induced scintillation in Gd3+-modified fluorophosphate glasses doped with Ce3+ [Internet]. Optical Materials. 2022 ; No 2022 112934-1-112934-6.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1016/j.optmat.2022.112934
  • Source: Optical Materials. Unidade: IFSC

    Subjects: FÓSFORO, ENERGIA

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      LOVISA, L.X. et al. SrW(1-x)MoxO4 solid solutions: modulation of structural and photoluminescent properties and white light emission. Optical Materials, v. 134 , p. 113166-1-113166-11, 2022Tradução . . Disponível em: https://doi.org/10.1016/j.optmat.2022.113166. Acesso em: 15 nov. 2024.
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      Lovisa, L. X., Santos, D. F., Santiago, A. A. G., Siu Li, M., Longo, E., Bomio, M. R. D., & Motta, F. V. (2022). SrW(1-x)MoxO4 solid solutions: modulation of structural and photoluminescent properties and white light emission. Optical Materials, 134 , 113166-1-113166-11. doi:10.1016/j.optmat.2022.113166
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      Lovisa LX, Santos DF, Santiago AAG, Siu Li M, Longo E, Bomio MRD, Motta FV. SrW(1-x)MoxO4 solid solutions: modulation of structural and photoluminescent properties and white light emission [Internet]. Optical Materials. 2022 ; 134 113166-1-113166-11.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1016/j.optmat.2022.113166
    • Vancouver

      Lovisa LX, Santos DF, Santiago AAG, Siu Li M, Longo E, Bomio MRD, Motta FV. SrW(1-x)MoxO4 solid solutions: modulation of structural and photoluminescent properties and white light emission [Internet]. Optical Materials. 2022 ; 134 113166-1-113166-11.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1016/j.optmat.2022.113166
  • Source: Journal of Chemical Information and Modeling. Unidade: IQSC

    Subjects: AMINOÁCIDOS, MECÂNICA QUÂNTICA, ENERGIA

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      SANTOS, Alberto M. Dos et al. Assessment of Reversibility for Covalent Cysteine Protease Inhibitors Using Quantum Mechanics/Molecular Mechanics Free Energy Surfaces. Journal of Chemical Information and Modeling, v. 62, p. 4083-4094, 2022Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.2c00466. Acesso em: 15 nov. 2024.
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      Santos, A. M. D., Oliveira, A. R. S., Costa, C. H. S. da, Kenny, P. W., Montanari, C. A., Varela Júnior, J. de J. G., & Lameira, J. (2022). Assessment of Reversibility for Covalent Cysteine Protease Inhibitors Using Quantum Mechanics/Molecular Mechanics Free Energy Surfaces. Journal of Chemical Information and Modeling, 62, 4083-4094. doi:10.1021/acs.jcim.2c00466
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      Santos AMD, Oliveira ARS, Costa CHS da, Kenny PW, Montanari CA, Varela Júnior J de JG, Lameira J. Assessment of Reversibility for Covalent Cysteine Protease Inhibitors Using Quantum Mechanics/Molecular Mechanics Free Energy Surfaces [Internet]. Journal of Chemical Information and Modeling. 2022 ; 62 4083-4094.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1021/acs.jcim.2c00466
    • Vancouver

      Santos AMD, Oliveira ARS, Costa CHS da, Kenny PW, Montanari CA, Varela Júnior J de JG, Lameira J. Assessment of Reversibility for Covalent Cysteine Protease Inhibitors Using Quantum Mechanics/Molecular Mechanics Free Energy Surfaces [Internet]. Journal of Chemical Information and Modeling. 2022 ; 62 4083-4094.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1021/acs.jcim.2c00466
  • Source: Journal of Chemical Information and Modeling. Unidades: FFCLRP, IQSC

    Subjects: ÍONS ELETRÔNICOS, ESTRUTURA ATÔMICA (QUÍMICA TEÓRICA), ENERGIA

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      MORAES, Alex S. et al. Screening of the Role of the Chemical Structure in the Electrochemical Stability Window of Ionic Liquids: DFT Calculations Combined with Data Mining. Journal of Chemical Information and Modeling, v. 62, n. 19, p. 4702–4712, 2022Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.2c00748. Acesso em: 15 nov. 2024.
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      Moraes, A. S., Pinheiro, G. A., Lourenço, T. da C., Lopes, M. C., Quiles, M. G., Dias, L. G., & Silva, J. L. F. da. (2022). Screening of the Role of the Chemical Structure in the Electrochemical Stability Window of Ionic Liquids: DFT Calculations Combined with Data Mining. Journal of Chemical Information and Modeling, 62( 19), 4702–4712. doi:10.1021/acs.jcim.2c00748
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      Moraes AS, Pinheiro GA, Lourenço T da C, Lopes MC, Quiles MG, Dias LG, Silva JLF da. Screening of the Role of the Chemical Structure in the Electrochemical Stability Window of Ionic Liquids: DFT Calculations Combined with Data Mining [Internet]. Journal of Chemical Information and Modeling. 2022 ; 62( 19): 4702–4712.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1021/acs.jcim.2c00748
    • Vancouver

      Moraes AS, Pinheiro GA, Lourenço T da C, Lopes MC, Quiles MG, Dias LG, Silva JLF da. Screening of the Role of the Chemical Structure in the Electrochemical Stability Window of Ionic Liquids: DFT Calculations Combined with Data Mining [Internet]. Journal of Chemical Information and Modeling. 2022 ; 62( 19): 4702–4712.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1021/acs.jcim.2c00748
  • Source: Journal of Chemical Information and Modeling. Unidade: IQSC

    Subjects: ENERGIA, MOLÉCULA

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      OLIVEIRA, Andre F e SILVA, Juarez Lopes Ferreira da e QUILES, Marcos Gonçalves. Molecular Property Prediction and Molecular Design Using a Supervised Grammar Variational Autoencoder. Journal of Chemical Information and Modeling, v. 62, p. 817−828, 2022Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.1c01573. Acesso em: 15 nov. 2024.
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      Oliveira, A. F., Silva, J. L. F. da, & Quiles, M. G. (2022). Molecular Property Prediction and Molecular Design Using a Supervised Grammar Variational Autoencoder. Journal of Chemical Information and Modeling, 62, 817−828. doi:10.1021/acs.jcim.1c01573
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      Oliveira AF, Silva JLF da, Quiles MG. Molecular Property Prediction and Molecular Design Using a Supervised Grammar Variational Autoencoder [Internet]. Journal of Chemical Information and Modeling. 2022 ; 62 817−828.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1021/acs.jcim.1c01573
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      Oliveira AF, Silva JLF da, Quiles MG. Molecular Property Prediction and Molecular Design Using a Supervised Grammar Variational Autoencoder [Internet]. Journal of Chemical Information and Modeling. 2022 ; 62 817−828.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1021/acs.jcim.1c01573
  • Source: Journal of Alloys and Compounds. Unidades: IFSC, EESC

    Subjects: GÁLIO, TÉRBIO, VIDRO, ENERGIA

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      LODI, Thiago Augusto et al. Promising Tb3+-doped gallium tungsten-phosphate glass scintillator: spectroscopy, energy transfer and UV/X-ray sensing. Journal of Alloys and Compounds, v. 904, p. 164016-1-164016-10, 2022Tradução . . Disponível em: https://doi.org/10.1016/j.jallcom.2022.164016. Acesso em: 15 nov. 2024.
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      Lodi, T. A., Santos, J. F. M. dos, Galleani, G., Jacobsohn, L. G., Catunda, T., & de Camargo, A. S. S. (2022). Promising Tb3+-doped gallium tungsten-phosphate glass scintillator: spectroscopy, energy transfer and UV/X-ray sensing. Journal of Alloys and Compounds, 904, 164016-1-164016-10. doi:10.1016/j.jallcom.2022.164016
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      Lodi TA, Santos JFM dos, Galleani G, Jacobsohn LG, Catunda T, de Camargo ASS. Promising Tb3+-doped gallium tungsten-phosphate glass scintillator: spectroscopy, energy transfer and UV/X-ray sensing [Internet]. Journal of Alloys and Compounds. 2022 ; 904 164016-1-164016-10.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1016/j.jallcom.2022.164016
    • Vancouver

      Lodi TA, Santos JFM dos, Galleani G, Jacobsohn LG, Catunda T, de Camargo ASS. Promising Tb3+-doped gallium tungsten-phosphate glass scintillator: spectroscopy, energy transfer and UV/X-ray sensing [Internet]. Journal of Alloys and Compounds. 2022 ; 904 164016-1-164016-10.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1016/j.jallcom.2022.164016
  • Source: Langmuir. Unidade: IQSC

    Subjects: COBRE, ENERGIA

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      FREITAS, Luis Paulo M. et al. Steric and Electrostatic Effects on the Diffusion of CH4/CH3OH in Copper-Exchanged Zeolites:: Insights from Enhanced Sampling Molecular Dynamics and Free Energy Calculations. Langmuir, v. 37, p. 8014-8023, 2021Tradução . . Disponível em: https://doi.org/10.1021/acs.langmuir.1c01078. Acesso em: 15 nov. 2024.
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      Freitas, L. P. M., Santo, A. A. E., Lourenço, T. da C., Silva, J. L. F. da, & Feliciano, G. T. (2021). Steric and Electrostatic Effects on the Diffusion of CH4/CH3OH in Copper-Exchanged Zeolites:: Insights from Enhanced Sampling Molecular Dynamics and Free Energy Calculations. Langmuir, 37, 8014-8023. doi:10.1021/acs.langmuir.1c01078
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      Freitas LPM, Santo AAE, Lourenço T da C, Silva JLF da, Feliciano GT. Steric and Electrostatic Effects on the Diffusion of CH4/CH3OH in Copper-Exchanged Zeolites:: Insights from Enhanced Sampling Molecular Dynamics and Free Energy Calculations [Internet]. Langmuir. 2021 ;37 8014-8023.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1021/acs.langmuir.1c01078
    • Vancouver

      Freitas LPM, Santo AAE, Lourenço T da C, Silva JLF da, Feliciano GT. Steric and Electrostatic Effects on the Diffusion of CH4/CH3OH in Copper-Exchanged Zeolites:: Insights from Enhanced Sampling Molecular Dynamics and Free Energy Calculations [Internet]. Langmuir. 2021 ;37 8014-8023.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1021/acs.langmuir.1c01078
  • Source: Journal of Physical Organic Chemistry. Unidade: IQSC

    Subjects: ENERGIA, CINÉTICA

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      SILVA, Natieli Alves da e BRUNS, Edward Roy. Topological electron density properties at critical points along aromatic rings as reactivity and regioselectivity descriptors in electrophilic substitutions. Journal of Physical Organic Chemistry, 2021Tradução . . Disponível em: https://doi.org/10.1002/poc.4252. Acesso em: 15 nov. 2024.
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      Silva, N. A. da, & Bruns, E. R. (2021). Topological electron density properties at critical points along aromatic rings as reactivity and regioselectivity descriptors in electrophilic substitutions. Journal of Physical Organic Chemistry. doi:10.1002/poc.4252
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      Silva NA da, Bruns ER. Topological electron density properties at critical points along aromatic rings as reactivity and regioselectivity descriptors in electrophilic substitutions [Internet]. Journal of Physical Organic Chemistry. 2021 ;[citado 2024 nov. 15 ] Available from: https://doi.org/10.1002/poc.4252
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      Silva NA da, Bruns ER. Topological electron density properties at critical points along aromatic rings as reactivity and regioselectivity descriptors in electrophilic substitutions [Internet]. Journal of Physical Organic Chemistry. 2021 ;[citado 2024 nov. 15 ] Available from: https://doi.org/10.1002/poc.4252
  • Source: Physics of the Dark Universe. Unidade: IFSC

    Subjects: ENERGIA, FÍSICA TEÓRICA, FÍSICA DE PARTÍCULAS

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      MUNIZ, C. R. et al. Exact solutions of the Wheeler-DeWitt equation with ordering term in a dark energy scenario. Physics of the Dark Universe, v. 28, p. 100547-1-100547-6, 2020Tradução . . Disponível em: https://doi.org/10.1016/j.dark.2020.100547. Acesso em: 15 nov. 2024.
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      Muniz, C. R., Christiansen, H. R., Cunha, M. S., & Vieira, H. S. (2020). Exact solutions of the Wheeler-DeWitt equation with ordering term in a dark energy scenario. Physics of the Dark Universe, 28, 100547-1-100547-6. doi:10.1016/j.dark.2020.100547
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      Muniz CR, Christiansen HR, Cunha MS, Vieira HS. Exact solutions of the Wheeler-DeWitt equation with ordering term in a dark energy scenario [Internet]. Physics of the Dark Universe. 2020 ; 28 100547-1-100547-6.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1016/j.dark.2020.100547
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      Muniz CR, Christiansen HR, Cunha MS, Vieira HS. Exact solutions of the Wheeler-DeWitt equation with ordering term in a dark energy scenario [Internet]. Physics of the Dark Universe. 2020 ; 28 100547-1-100547-6.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1016/j.dark.2020.100547
  • Source: Physical Review Letters. Unidade: IFSC

    Subjects: RAIOS CÓSMICOS, FÍSICA DE ALTA ENERGIA, ENERGIA, ASTROFÍSICA

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      ALBERT, A e MARTÍNEZ-HUERTA, Humberto. Constraints on Lorentz invariance violation from HAWC observations of gamma rays above 100 TeV. Physical Review Letters, v. 124, n. 13, p. 131101-131101-7, 2020Tradução . . Disponível em: https://doi.org/10.1103/PhysRevLett.124.131101. Acesso em: 15 nov. 2024.
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      Albert, A., & Martínez-Huerta, H. (2020). Constraints on Lorentz invariance violation from HAWC observations of gamma rays above 100 TeV. Physical Review Letters, 124( 13), 131101-131101-7. doi:10.1103/PhysRevLett.124.131101
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      Albert A, Martínez-Huerta H. Constraints on Lorentz invariance violation from HAWC observations of gamma rays above 100 TeV [Internet]. Physical Review Letters. 2020 ; 124( 13): 131101-131101-7.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1103/PhysRevLett.124.131101
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      Albert A, Martínez-Huerta H. Constraints on Lorentz invariance violation from HAWC observations of gamma rays above 100 TeV [Internet]. Physical Review Letters. 2020 ; 124( 13): 131101-131101-7.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1103/PhysRevLett.124.131101
  • Source: ACS Applied Materials and Interfaces. Unidade: IQSC

    Subjects: ELETROCATÁLISE, ENERGIA, HIDROGÊNIO

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      KOVERGA, Andrey A. et al. Role of Transition Metals on TM/Mo2C Composites: Hydrogen Evolution Activity in Mildly Acidic and Alkaline Media. ACS Applied Materials and Interfaces, v. 12, n. 24, p. 27150–27165 May, 2020Tradução . . Disponível em: https://doi.org/10.1021/acsami.0c04806. Acesso em: 15 nov. 2024.
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      Koverga, A. A., Gomez-Marín, A. M., Dorkis, L., Flórez, E., & Ticianelli, E. A. (2020). Role of Transition Metals on TM/Mo2C Composites: Hydrogen Evolution Activity in Mildly Acidic and Alkaline Media. ACS Applied Materials and Interfaces, 12( 24), 27150–27165 May. doi:10.1021/acsami.0c04806
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      Koverga AA, Gomez-Marín AM, Dorkis L, Flórez E, Ticianelli EA. Role of Transition Metals on TM/Mo2C Composites: Hydrogen Evolution Activity in Mildly Acidic and Alkaline Media [Internet]. ACS Applied Materials and Interfaces. 2020 ; 12( 24): 27150–27165 May.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1021/acsami.0c04806
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      Koverga AA, Gomez-Marín AM, Dorkis L, Flórez E, Ticianelli EA. Role of Transition Metals on TM/Mo2C Composites: Hydrogen Evolution Activity in Mildly Acidic and Alkaline Media [Internet]. ACS Applied Materials and Interfaces. 2020 ; 12( 24): 27150–27165 May.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1021/acsami.0c04806
  • Source: Physical Chemistry Chemical Physics - PCCP. Unidade: IQSC

    Subjects: CÉLULAS A COMBUSTÍVEL, ADSORÇÃO, ENERGIA

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      BEZERRA, Raquel C. et al. Ab initio investigation of the role of transition-metal dopants in the adsorption properties of ethylene glycol on doped Pt(100) surfaces. Physical Chemistry Chemical Physics - PCCP, v. 22, p. 17646-17658 July 2020, 2020Tradução . . Disponível em: https://doi.org/10.1039/D0CP01403F. Acesso em: 15 nov. 2024.
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      Bezerra, R. C., Mendes, P. de C. D., Passos, R. R., & Silva, J. L. F. da. (2020). Ab initio investigation of the role of transition-metal dopants in the adsorption properties of ethylene glycol on doped Pt(100) surfaces. Physical Chemistry Chemical Physics - PCCP, 22, 17646-17658 July 2020. doi:10.1039/D0CP01403F
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      Bezerra RC, Mendes P de CD, Passos RR, Silva JLF da. Ab initio investigation of the role of transition-metal dopants in the adsorption properties of ethylene glycol on doped Pt(100) surfaces [Internet]. Physical Chemistry Chemical Physics - PCCP. 2020 ;22 17646-17658 July 2020.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1039/D0CP01403F
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      Bezerra RC, Mendes P de CD, Passos RR, Silva JLF da. Ab initio investigation of the role of transition-metal dopants in the adsorption properties of ethylene glycol on doped Pt(100) surfaces [Internet]. Physical Chemistry Chemical Physics - PCCP. 2020 ;22 17646-17658 July 2020.[citado 2024 nov. 15 ] Available from: https://doi.org/10.1039/D0CP01403F

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