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Artigo de periodico
Insights into the alloy-support synergistic effects for the CO2 hydrogenation towards methanol on oxide-supported Ni5Ga3 catalysts: an experimental and DFT study (2022)
Rasteiro , Letícia Fernanda ; Sousa, Rafael A. De; Vieira, Luiz H. ; Ocampo-Restrepo, Vivianne K. ; Verga, Lucas Garcia ; Assaf, Jose Mansur ; Silva, Juarez Lopes Ferreira da ; Assaf, Elisabete Moreira
Source: Applied Catalysis B: Environmental. Unidade: IQSC
Subjects: CATÁLISE, METANOL, GÁS CARBÔNICO
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ABNT
RASTEIRO , Letícia Fernanda et al. Insights into the alloy-support synergistic effects for the CO2 hydrogenation towards methanol on oxide-supported Ni5Ga3 catalysts: an experimental and DFT study. Applied Catalysis B: Environmental, v. 302, p. 120842, 2022Tradução . . Disponível em: https://doi.org/10.1016/j.apcatb.2021.120842. Acesso em: 27 set. 2024.
APA
Rasteiro , L. F., Sousa, R. A. D., Vieira, L. H., Ocampo-Restrepo, V. K., Verga, L. G., Assaf, J. M., et al. (2022). Insights into the alloy-support synergistic effects for the CO2 hydrogenation towards methanol on oxide-supported Ni5Ga3 catalysts: an experimental and DFT study. Applied Catalysis B: Environmental, 302, 120842. doi:10.1016/j.apcatb.2021.120842
NLM
Rasteiro LF, Sousa RAD, Vieira LH, Ocampo-Restrepo VK, Verga LG, Assaf JM, Silva JLF da, Assaf EM. Insights into the alloy-support synergistic effects for the CO2 hydrogenation towards methanol on oxide-supported Ni5Ga3 catalysts: an experimental and DFT study [Internet]. Applied Catalysis B: Environmental. 2022 ; 302 120842.[citado 2024 set. 27 ] Available from: https://doi.org/10.1016/j.apcatb.2021.120842
Vancouver
Rasteiro LF, Sousa RAD, Vieira LH, Ocampo-Restrepo VK, Verga LG, Assaf JM, Silva JLF da, Assaf EM. Insights into the alloy-support synergistic effects for the CO2 hydrogenation towards methanol on oxide-supported Ni5Ga3 catalysts: an experimental and DFT study [Internet]. Applied Catalysis B: Environmental. 2022 ; 302 120842.[citado 2024 set. 27 ] Available from: https://doi.org/10.1016/j.apcatb.2021.120842
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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ABNT
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: 27 set. 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 set. 27 ] 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 set. 27 ] 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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ABNT
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: 27 set. 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 set. 27 ] 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 set. 27 ] Available from: https://doi.org/10.1063/5.0091145
Artigo de periodico
Exploring the adsorption site coordination as a strategy to tune copper catalysts for CO2 electro-reduction (2022)
Verga, Lucas Garcia ; Mendes, Paulo de Carvalho Dias ; Restrepo, Vivianne k ; Silva, Juarez Lopes Ferreira da
Source: Catalysis Science & Technology. Unidades: IQSC, CENA
Subjects: ELETROQUÍMICA, CATALISADORES, REDUÇÃO
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ABNT
VERGA, Lucas Garcia et al. Exploring the adsorption site coordination as a strategy to tune copper catalysts for CO2 electro-reduction. Catalysis Science & Technology, v. 12, p. 869-879, 2022Tradução . . Disponível em: https://doi-org.ez67.periodicos.capes.gov.br/10.1039/D1CY02010B. Acesso em: 27 set. 2024.
APA
Verga, L. G., Mendes, P. de C. D., Restrepo, V. k, & Silva, J. L. F. da. (2022). Exploring the adsorption site coordination as a strategy to tune copper catalysts for CO2 electro-reduction. Catalysis Science & Technology, 12, 869-879. doi:10.1039/D1CY02010B
NLM
Verga LG, Mendes P de CD, Restrepo V k, Silva JLF da. Exploring the adsorption site coordination as a strategy to tune copper catalysts for CO2 electro-reduction [Internet]. Catalysis Science & Technology. 2022 ; 12 869-879.[citado 2024 set. 27 ] Available from: https://doi-org.ez67.periodicos.capes.gov.br/10.1039/D1CY02010B
Vancouver
Verga LG, Mendes P de CD, Restrepo V k, Silva JLF da. Exploring the adsorption site coordination as a strategy to tune copper catalysts for CO2 electro-reduction [Internet]. Catalysis Science & Technology. 2022 ; 12 869-879.[citado 2024 set. 27 ] Available from: https://doi-org.ez67.periodicos.capes.gov.br/10.1039/D1CY02010B
Artigo de periodico
The role of site coordination on the CO2 electroreduction pathway on stepped and defective copper surfaces (2021)
Verga, Lucas Garcia ; Mendes, Paulo de Carvalho Dias ; Ocampo-Restrepo, Vivianne K. ; Silva, Juarez Lopes Ferreira da
Source: Catalysis Science & Technology. Unidade: IQSC
Subjects: ELETROCATÁLISE, COBRE, REDUÇÃO, DIÓXIDO DE CARBONO
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ABNT
VERGA, Lucas Garcia et al. The role of site coordination on the CO2 electroreduction pathway on stepped and defective copper surfaces. Catalysis Science & Technology, v. 11, p. 2770-2781 Feb 2021, 2021Tradução . . Disponível em: https://doi.org/10.1039/D0CY02337J. Acesso em: 27 set. 2024.
APA
Verga, L. G., Mendes, P. de C. D., Ocampo-Restrepo, V. K., & Silva, J. L. F. da. (2021). The role of site coordination on the CO2 electroreduction pathway on stepped and defective copper surfaces. Catalysis Science & Technology, 11, 2770-2781 Feb 2021. doi:10.1039/D0CY02337J
NLM
Verga LG, Mendes P de CD, Ocampo-Restrepo VK, Silva JLF da. The role of site coordination on the CO2 electroreduction pathway on stepped and defective copper surfaces [Internet]. Catalysis Science & Technology. 2021 ; 11 2770-2781 Feb 2021.[citado 2024 set. 27 ] Available from: https://doi.org/10.1039/D0CY02337J
Vancouver
Verga LG, Mendes P de CD, Ocampo-Restrepo VK, Silva JLF da. The role of site coordination on the CO2 electroreduction pathway on stepped and defective copper surfaces [Internet]. Catalysis Science & Technology. 2021 ; 11 2770-2781 Feb 2021.[citado 2024 set. 27 ] Available from: https://doi.org/10.1039/D0CY02337J
Artigo de periodico
Ab Initio study of the C–O bond dissociation in CO2 reduction by redox and carboxyl routes on 3d transition metal systems (2021)
Ocampo-Restrepo, Vivianne K. ; Verga, Lucas Garcia ; Silva, Juarez Lopes Ferreira da
Source: The Journal of Physical Chemistry Part C. Unidade: IQSC
Subjects: FÍSICO-QUÍMICA, GÁS CARBÔNICO, IMPACTOS AMBIENTAIS, REDUÇÃO
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ABNT
OCAMPO-RESTREPO, Vivianne K. e VERGA, Lucas Garcia e SILVA, Juarez Lopes Ferreira da. Ab Initio study of the C–O bond dissociation in CO2 reduction by redox and carboxyl routes on 3d transition metal systems. The Journal of Physical Chemistry Part C, v. 125, p. 26296–26306, 2021Tradução . . Disponível em: https://doi.org/10.1021/acs.jpcc.1c05468. Acesso em: 27 set. 2024.
APA
Ocampo-Restrepo, V. K., Verga, L. G., & Silva, J. L. F. da. (2021). Ab Initio study of the C–O bond dissociation in CO2 reduction by redox and carboxyl routes on 3d transition metal systems. The Journal of Physical Chemistry Part C, 125, 26296–26306. doi:10.1021/acs.jpcc.1c05468
NLM
Ocampo-Restrepo VK, Verga LG, Silva JLF da. Ab Initio study of the C–O bond dissociation in CO2 reduction by redox and carboxyl routes on 3d transition metal systems [Internet]. The Journal of Physical Chemistry Part C. 2021 ; 125 26296–26306.[citado 2024 set. 27 ] Available from: https://doi.org/10.1021/acs.jpcc.1c05468
Vancouver
Ocampo-Restrepo VK, Verga LG, Silva JLF da. Ab Initio study of the C–O bond dissociation in CO2 reduction by redox and carboxyl routes on 3d transition metal systems [Internet]. The Journal of Physical Chemistry Part C. 2021 ; 125 26296–26306.[citado 2024 set. 27 ] Available from: https://doi.org/10.1021/acs.jpcc.1c05468
Artigo de periodico
Ab initio investigation of the formation mechanism of nano-interfaces between 3d-late transition-metals and ZrO2 nanoclusters (2020)
Besse, Larissa Zibordi ; Verga, Lucas Garcia ; Restrepo, Vivianne k ; Silva, Juarez Lopes Ferreira da
Source: Physical Chemistry Chemical Physics - PCCP. Unidade: IQSC
Assunto: CLUSTERS
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ABNT
BESSE, Larissa Zibordi et al. Ab initio investigation of the formation mechanism of nano-interfaces between 3d-late transition-metals and ZrO2 nanoclusters. Physical Chemistry Chemical Physics - PCCP, v. 22, p. 8067-8076 Mar 2020, 2020Tradução . . Disponível em: https://doi.org/10.1039/D0CP00584C. Acesso em: 27 set. 2024.
APA
Besse, L. Z., Verga, L. G., Restrepo, V. k, & Silva, J. L. F. da. (2020). Ab initio investigation of the formation mechanism of nano-interfaces between 3d-late transition-metals and ZrO2 nanoclusters. Physical Chemistry Chemical Physics - PCCP, 22, 8067-8076 Mar 2020. doi:10.1039/D0CP00584C
NLM
Besse LZ, Verga LG, Restrepo V k, Silva JLF da. Ab initio investigation of the formation mechanism of nano-interfaces between 3d-late transition-metals and ZrO2 nanoclusters [Internet]. Physical Chemistry Chemical Physics - PCCP. 2020 ;22 8067-8076 Mar 2020.[citado 2024 set. 27 ] Available from: https://doi.org/10.1039/D0CP00584C
Vancouver
Besse LZ, Verga LG, Restrepo V k, Silva JLF da. Ab initio investigation of the formation mechanism of nano-interfaces between 3d-late transition-metals and ZrO2 nanoclusters [Internet]. Physical Chemistry Chemical Physics - PCCP. 2020 ;22 8067-8076 Mar 2020.[citado 2024 set. 27 ] Available from: https://doi.org/10.1039/D0CP00584C
Trabalho de evento-resumo
Investigação Ab initio dos Mecanismos de Adsorção de CO2 sobre Clusters de TM8 (TM = Fe, Co, Ni, Cu, Ru, Rh, Pd, Ag, Os, Ir, Pt, Au) (2020)
Collacique, Matheus N; Restrepo, Vivianne k ; Silva, Juarez Lopes Ferreira da
Source: Resumos. Conference titles: Simpósio Internacional de Iniciação Científica e Tecnológica da Universidade de São Paulo - SIICUSP. Unidades: IQSC, ICMC
Subjects: DIÓXIDO DE CARBONO, CATÁLISE
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ABNT
COLLACIQUE, Matheus N e RESTREPO, Vivianne k e SILVA, Juarez Lopes Ferreira da. Investigação Ab initio dos Mecanismos de Adsorção de CO2 sobre Clusters de TM8 (TM = Fe, Co, Ni, Cu, Ru, Rh, Pd, Ag, Os, Ir, Pt, Au). 2020, Anais.. São Paulo: Universidade de São Paulo - USP, 2020. Disponível em: https://uspdigital.usp.br/siicusp/siicPublicacao.jsp?codmnu=7210. Acesso em: 27 set. 2024.
APA
Collacique, M. N., Restrepo, V. k, & Silva, J. L. F. da. (2020). Investigação Ab initio dos Mecanismos de Adsorção de CO2 sobre Clusters de TM8 (TM = Fe, Co, Ni, Cu, Ru, Rh, Pd, Ag, Os, Ir, Pt, Au). In Resumos. São Paulo: Universidade de São Paulo - USP. Recuperado de https://uspdigital.usp.br/siicusp/siicPublicacao.jsp?codmnu=7210
NLM
Collacique MN, Restrepo V k, Silva JLF da. Investigação Ab initio dos Mecanismos de Adsorção de CO2 sobre Clusters de TM8 (TM = Fe, Co, Ni, Cu, Ru, Rh, Pd, Ag, Os, Ir, Pt, Au) [Internet]. Resumos. 2020 ;[citado 2024 set. 27 ] Available from: https://uspdigital.usp.br/siicusp/siicPublicacao.jsp?codmnu=7210
Vancouver
Collacique MN, Restrepo V k, Silva JLF da. Investigação Ab initio dos Mecanismos de Adsorção de CO2 sobre Clusters de TM8 (TM = Fe, Co, Ni, Cu, Ru, Rh, Pd, Ag, Os, Ir, Pt, Au) [Internet]. Resumos. 2020 ;[citado 2024 set. 27 ] Available from: https://uspdigital.usp.br/siicusp/siicPublicacao.jsp?codmnu=7210
Artigo de periodico
Ab Initio Investigation of Quantum Size Effects on the Adsorption of CO2 , CO, H2O, and H2 on Transitionmetal Particles (2020)
Mendes, Paulo de Carvalho Dias ; Restrepo, Vivianne k ; Silva, Juarez Lopes Ferreira da
Source: Physical Chemistry Chemical Physics - PCCP. Unidade: IQSC
Assunto: ADSORÇÃO
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ABNT
MENDES, Paulo de Carvalho Dias e RESTREPO, Vivianne k e SILVA, Juarez Lopes Ferreira da. Ab Initio Investigation of Quantum Size Effects on the Adsorption of CO2 , CO, H2O, and H2 on Transitionmetal Particles. Physical Chemistry Chemical Physics - PCCP, v. 22, p. 8998-9008, 2020Tradução . . Disponível em: https://doi.org/10.1039/D0CP00880J. Acesso em: 27 set. 2024.
APA
Mendes, P. de C. D., Restrepo, V. k, & Silva, J. L. F. da. (2020). Ab Initio Investigation of Quantum Size Effects on the Adsorption of CO2 , CO, H2O, and H2 on Transitionmetal Particles. Physical Chemistry Chemical Physics - PCCP, 22, 8998-9008. doi:10.1039/D0CP00880J
NLM
Mendes P de CD, Restrepo V k, Silva JLF da. Ab Initio Investigation of Quantum Size Effects on the Adsorption of CO2 , CO, H2O, and H2 on Transitionmetal Particles [Internet]. Physical Chemistry Chemical Physics - PCCP. 2020 ; 22 8998-9008.[citado 2024 set. 27 ] Available from: https://doi.org/10.1039/D0CP00880J
Vancouver
Mendes P de CD, Restrepo V k, Silva JLF da. Ab Initio Investigation of Quantum Size Effects on the Adsorption of CO2 , CO, H2O, and H2 on Transitionmetal Particles [Internet]. Physical Chemistry Chemical Physics - PCCP. 2020 ; 22 8998-9008.[citado 2024 set. 27 ] Available from: https://doi.org/10.1039/D0CP00880J
Artigo de periodico
Ab Initio Investigation of CO2 Adsorption on 13-Atom 4d Clusters (2020)
Batista, Krys Elly de Araújo ; Restrepo, Vivianne k ; Soares, Marinalva Dias ; Quiles, Marcos Gonçalves ; Piotrowski, Maurício Jeomar ; Silva, Juarez Lopes Ferreira da
Source: Journal of Chemical Information and Modeling. Unidade: IQSC
Assunto: CLUSTERS
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ABNT
BATISTA, Krys Elly de Araújo et al. Ab Initio Investigation of CO2 Adsorption on 13-Atom 4d Clusters. Journal of Chemical Information and Modeling, v. 60, p. 537-545, 2020Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.9b00792. Acesso em: 27 set. 2024.
APA
Batista, K. E. de A., Restrepo, V. k, Soares, M. D., Quiles, M. G., Piotrowski, M. J., & Silva, J. L. F. da. (2020). Ab Initio Investigation of CO2 Adsorption on 13-Atom 4d Clusters. Journal of Chemical Information and Modeling, 60, 537-545. doi:10.1021/acs.jcim.9b00792
NLM
Batista KE de A, Restrepo V k, Soares MD, Quiles MG, Piotrowski MJ, Silva JLF da. Ab Initio Investigation of CO2 Adsorption on 13-Atom 4d Clusters [Internet]. Journal of Chemical Information and Modeling. 2020 ; 60 537-545.[citado 2024 set. 27 ] Available from: https://doi.org/10.1021/acs.jcim.9b00792
Vancouver
Batista KE de A, Restrepo V k, Soares MD, Quiles MG, Piotrowski MJ, Silva JLF da. Ab Initio Investigation of CO2 Adsorption on 13-Atom 4d Clusters [Internet]. Journal of Chemical Information and Modeling. 2020 ; 60 537-545.[citado 2024 set. 27 ] Available from: https://doi.org/10.1021/acs.jcim.9b00792
Trabalho de evento-resumo
Estudo Ab Initio dos Mecanismos de Adsorção do CO 2 sobre Clusters de Fe 8 (2019)
Collacique, Matheus N.; Restrepo, Vivianne k; Silva, Juarez Lopes Ferreira da
Source: Resumos. Conference titles: Simpósio Internacional de Iniciação Científica e Tecnológica da Universidade de São Paulo - SIICUSP. Unidade: IQSC
Subjects: CLUSTERS, ADSORÇÃO
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
COLLACIQUE, Matheus N. e RESTREPO, Vivianne k e SILVA, Juarez Lopes Ferreira da. Estudo Ab Initio dos Mecanismos de Adsorção do CO 2 sobre Clusters de Fe 8. 2019, Anais.. São Paulo: Universidade de São Paulo - USP, 2019. Disponível em: https://uspdigital.usp.br/siicusp/siicPublicacao.jsp?codmnu=7210. Acesso em: 27 set. 2024.
APA
Collacique, M. N., Restrepo, V. k, & Silva, J. L. F. da. (2019). Estudo Ab Initio dos Mecanismos de Adsorção do CO 2 sobre Clusters de Fe 8. In Resumos. São Paulo: Universidade de São Paulo - USP. Recuperado de https://uspdigital.usp.br/siicusp/siicPublicacao.jsp?codmnu=7210
NLM
Collacique MN, Restrepo V k, Silva JLF da. Estudo Ab Initio dos Mecanismos de Adsorção do CO 2 sobre Clusters de Fe 8 [Internet]. Resumos. 2019 ;[citado 2024 set. 27 ] Available from: https://uspdigital.usp.br/siicusp/siicPublicacao.jsp?codmnu=7210
Vancouver
Collacique MN, Restrepo V k, Silva JLF da. Estudo Ab Initio dos Mecanismos de Adsorção do CO 2 sobre Clusters de Fe 8 [Internet]. Resumos. 2019 ;[citado 2024 set. 27 ] Available from: https://uspdigital.usp.br/siicusp/siicPublicacao.jsp?codmnu=7210
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
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
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: 27 set. 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 set. 27 ] 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 set. 27 ] Available from: https://doi.org/10.1063/1.5125769

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