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Artigo de periodico
Ab initio screening of Pt-based transition-metal nanoalloys using descriptors derived from the adsorption and activation of CO2† (2021)
Mendes, Paulo de Carvalho Dias ; Verga, Lucas Garcia ; Silva, Juarez Lopes Ferreira da
Source: Physical Chemistry Chemical Physics. Unidade: IQSC
Subjects: METAIS, FÍSICO-QUÍMICA, ADSORÇÃO
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ABNT
MENDES, Paulo de Carvalho Dias e VERGA, Lucas Garcia e SILVA, Juarez Lopes Ferreira da. Ab initio screening of Pt-based transition-metal nanoalloys using descriptors derived from the adsorption and activation of CO2†. Physical Chemistry Chemical Physics, v. 23, p. 6029-6041, 2021Tradução . . Disponível em: https://doi.org/10.1039/d1cp00570g. Acesso em: 03 nov. 2025.
APA
Mendes, P. de C. D., Verga, L. G., & Silva, J. L. F. da. (2021). Ab initio screening of Pt-based transition-metal nanoalloys using descriptors derived from the adsorption and activation of CO2†. Physical Chemistry Chemical Physics, 23, 6029-6041. doi:10.1039/d1cp00570g
NLM
Mendes P de CD, Verga LG, Silva JLF da. Ab initio screening of Pt-based transition-metal nanoalloys using descriptors derived from the adsorption and activation of CO2† [Internet]. Physical Chemistry Chemical Physics. 2021 ; 23 6029-6041.[citado 2025 nov. 03 ] Available from: https://doi.org/10.1039/d1cp00570g
Vancouver
Mendes P de CD, Verga LG, Silva JLF da. Ab initio screening of Pt-based transition-metal nanoalloys using descriptors derived from the adsorption and activation of CO2† [Internet]. Physical Chemistry Chemical Physics. 2021 ; 23 6029-6041.[citado 2025 nov. 03 ] Available from: https://doi.org/10.1039/d1cp00570g
Artigo de periodico
First-principles insights into the role of edges in the binding mechanisms of Au4 clusters on MoSe2 nanoflakes (2021)
Caturello, Naidel Antonio Moreira dos Santos ; Besse, Rafael ; Silveira, Julian Francisco Rama Vieira ; Lima, Matheus P ; Silva, Juarez Lopes Ferreira da
Source: Physica E: low-dimensional systems and nanostructures. Unidades: IQSC, FFCLRP, IFSC
Subjects: OURO, CLUSTERS
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ABNT
CATURELLO, Naidel Antonio Moreira dos Santos et al. First-principles insights into the role of edges in the binding mechanisms of Au4 clusters on MoSe2 nanoflakes. Physica E: low-dimensional systems and nanostructures, v. 126, p. 114472-1-114472-9, 2021Tradução . . Disponível em: https://doi.org/10.1016/j.physe.2020.114472. Acesso em: 03 nov. 2025.
APA
Caturello, N. A. M. dos S., Besse, R., Silveira, J. F. R. V., Lima, M. P., & Silva, J. L. F. da. (2021). First-principles insights into the role of edges in the binding mechanisms of Au4 clusters on MoSe2 nanoflakes. Physica E: low-dimensional systems and nanostructures, 126, 114472-1-114472-9. doi:10.1016/j.physe.2020.114472
NLM
Caturello NAM dos S, Besse R, Silveira JFRV, Lima MP, Silva JLF da. First-principles insights into the role of edges in the binding mechanisms of Au4 clusters on MoSe2 nanoflakes [Internet]. Physica E: low-dimensional systems and nanostructures. 2021 ; 126 114472-1-114472-9.[citado 2025 nov. 03 ] Available from: https://doi.org/10.1016/j.physe.2020.114472
Vancouver
Caturello NAM dos S, Besse R, Silveira JFRV, Lima MP, Silva JLF da. First-principles insights into the role of edges in the binding mechanisms of Au4 clusters on MoSe2 nanoflakes [Internet]. Physica E: low-dimensional systems and nanostructures. 2021 ; 126 114472-1-114472-9.[citado 2025 nov. 03 ] Available from: https://doi.org/10.1016/j.physe.2020.114472
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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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: 03 nov. 2025.
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 2025 nov. 03 ] 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 2025 nov. 03 ] Available from: https://doi.org/10.1039/D0CP00584C
Artigo de periodico
Ab initio insights into the formation mechanisms of 55-atom Pt- based core−Shell Nanoalloys (2020)
Mendes, Paulo de Carvalho Dias ; Justo, Stella Granatto ; Mucelini, Johnatan ; Soares, Marinalva Dias ; Batista, Krys Elly de Araújo ; Quiles, Marcos Gonçalves ; Piotrowski, Maurício Jeomar ; Silva, Juarez Lopes Ferreira da
Source: The Journal of Physical Chemistry C. Unidade: IQSC
Subjects: CATALISADORES, NANOPARTÍCULAS
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ABNT
MENDES, Paulo de Carvalho Dias et al. Ab initio insights into the formation mechanisms of 55-atom Pt- based core−Shell Nanoalloys. The Journal of Physical Chemistry C, v. 124, n. 1, p. 1158-1164, 2020Tradução . . Disponível em: https://doi.org/10.1021/acs.jpcc.9b09561. Acesso em: 03 nov. 2025.
APA
Mendes, P. de C. D., Justo, S. G., Mucelini, J., Soares, M. D., Batista, K. E. de A., Quiles, M. G., et al. (2020). Ab initio insights into the formation mechanisms of 55-atom Pt- based core−Shell Nanoalloys. The Journal of Physical Chemistry C, 124( 1), 1158-1164. doi:10.1021/acs.jpcc.9b09561
NLM
Mendes P de CD, Justo SG, Mucelini J, Soares MD, Batista KE de A, Quiles MG, Piotrowski MJ, Silva JLF da. Ab initio insights into the formation mechanisms of 55-atom Pt- based core−Shell Nanoalloys [Internet]. The Journal of Physical Chemistry C. 2020 ; 124( 1): 1158-1164.[citado 2025 nov. 03 ] Available from: https://doi.org/10.1021/acs.jpcc.9b09561
Vancouver
Mendes P de CD, Justo SG, Mucelini J, Soares MD, Batista KE de A, Quiles MG, Piotrowski MJ, Silva JLF da. Ab initio insights into the formation mechanisms of 55-atom Pt- based core−Shell Nanoalloys [Internet]. The Journal of Physical Chemistry C. 2020 ; 124( 1): 1158-1164.[citado 2025 nov. 03 ] Available from: https://doi.org/10.1021/acs.jpcc.9b09561
Artigo de periodico
Unveiling the adsorption properties of 3d, 4d, and 5d metal adatoms on the MoS2 monolayer: A DFT-D3 investigation (2020)
Amaral, Rafael Costa ; Forhat, Ahmad; Caturello, Naidel A. M. S ; Silva, Juarez Lopes Ferreira da
Source: Surface Science. Unidade: IQSC
Assunto: ADSORÇÃO
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ABNT
AMARAL, Rafael Costa et al. Unveiling the adsorption properties of 3d, 4d, and 5d metal adatoms on the MoS2 monolayer: A DFT-D3 investigation. Surface Science, v. No2020, p. 121700, 2020Tradução . . Disponível em: https://doi.org/10.1016/j.susc.2020.121700. Acesso em: 03 nov. 2025.
APA
Amaral, R. C., Forhat, A., Caturello, N. A. M. S., & Silva, J. L. F. da. (2020). Unveiling the adsorption properties of 3d, 4d, and 5d metal adatoms on the MoS2 monolayer: A DFT-D3 investigation. Surface Science, No2020, 121700. doi:10.1016/j.susc.2020.121700
NLM
Amaral RC, Forhat A, Caturello NAMS, Silva JLF da. Unveiling the adsorption properties of 3d, 4d, and 5d metal adatoms on the MoS2 monolayer: A DFT-D3 investigation [Internet]. Surface Science. 2020 ; No2020 121700.[citado 2025 nov. 03 ] Available from: https://doi.org/10.1016/j.susc.2020.121700
Vancouver
Amaral RC, Forhat A, Caturello NAMS, Silva JLF da. Unveiling the adsorption properties of 3d, 4d, and 5d metal adatoms on the MoS2 monolayer: A DFT-D3 investigation [Internet]. Surface Science. 2020 ; No2020 121700.[citado 2025 nov. 03 ] Available from: https://doi.org/10.1016/j.susc.2020.121700
Artigo de periodico
Interfacial Structures in Ionic Liquid-Based Ternary Electrolytes for Lithium-Metal Batteries: A Molecular Dynamics Study (2020)
Lourenço, Tuanan da Costa ; Ebadi, Mahsa ; Brandell, Daniel ; Silva, Juarez Lopes Ferreira da ; Costa, Luciano Tavares da
Source: The Journal of Physical Chemistry B. Unidade: IQSC
Subjects: BATERIAS ELÉTRICAS, METAIS, LÍTIO, ELETRÓLITOS
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ABNT
LOURENÇO, Tuanan da Costa et al. Interfacial Structures in Ionic Liquid-Based Ternary Electrolytes for Lithium-Metal Batteries: A Molecular Dynamics Study. The Journal of Physical Chemistry B, v. 124, p. 9648−9657, 2020Tradução . . Disponível em: https://doi.org/10.1021/acs.jpcb.0c06500. Acesso em: 03 nov. 2025.
APA
Lourenço, T. da C., Ebadi, M., Brandell, D., Silva, J. L. F. da, & Costa, L. T. da. (2020). Interfacial Structures in Ionic Liquid-Based Ternary Electrolytes for Lithium-Metal Batteries: A Molecular Dynamics Study. The Journal of Physical Chemistry B, 124, 9648−9657. doi:10.1021/acs.jpcb.0c06500
NLM
Lourenço T da C, Ebadi M, Brandell D, Silva JLF da, Costa LT da. Interfacial Structures in Ionic Liquid-Based Ternary Electrolytes for Lithium-Metal Batteries: A Molecular Dynamics Study [Internet]. The Journal of Physical Chemistry B. 2020 ; 124 9648−9657.[citado 2025 nov. 03 ] Available from: https://doi.org/10.1021/acs.jpcb.0c06500
Vancouver
Lourenço T da C, Ebadi M, Brandell D, Silva JLF da, Costa LT da. Interfacial Structures in Ionic Liquid-Based Ternary Electrolytes for Lithium-Metal Batteries: A Molecular Dynamics Study [Internet]. The Journal of Physical Chemistry B. 2020 ; 124 9648−9657.[citado 2025 nov. 03 ] Available from: https://doi.org/10.1021/acs.jpcb.0c06500
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: 03 nov. 2025.
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 2025 nov. 03 ] 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 2025 nov. 03 ] Available from: https://doi.org/10.1039/D0CP00880J
Artigo de periodico
Ab initio investigation of the role of transition-metal dopants in the adsorption properties of ethylene glycol on doped Pt(100) surfaces (2020)
Bezerra, Raquel C.; Mendes, Paulo de Carvalho Dias ; Passos, Raimundo Ribeiro ; Silva, Juarez Lopes Ferreira da
Source: Physical Chemistry Chemical Physics - PCCP. Unidade: IQSC
Subjects: CÉLULAS A COMBUSTÍVEL, ADSORÇÃO, ENERGIA
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ABNT
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: 03 nov. 2025.
APA
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
NLM
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 2025 nov. 03 ] Available from: https://doi.org/10.1039/D0CP01403F
Vancouver
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 2025 nov. 03 ] Available from: https://doi.org/10.1039/D0CP01403F
Artigo de periodico
Novel zero-dimensional lead-free bismuth based perovskites:: from synthesis to structural and optoelectronic characterization (2020)
Ozório, Mailde da Silva ; Oliveira, Willian X. C. ; Silveira, Julian Francisco Rama Vieira ; Nogueira, Ana Flávia ; Silva, Juarez Lopes Ferreira da
Source: Materials Advances. Unidade: IQSC
Assunto: QUÍMICA TEÓRICA
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ABNT
OZÓRIO, Mailde da Silva et al. Novel zero-dimensional lead-free bismuth based perovskites:: from synthesis to structural and optoelectronic characterization. Materials Advances, v. 1, p. 3439-3448, 2020Tradução . . Disponível em: https://doi.org/10.1039/d0ma00791a. Acesso em: 03 nov. 2025.
APA
Ozório, M. da S., Oliveira, W. X. C., Silveira, J. F. R. V., Nogueira, A. F., & Silva, J. L. F. da. (2020). Novel zero-dimensional lead-free bismuth based perovskites:: from synthesis to structural and optoelectronic characterization. Materials Advances, 1, 3439-3448. doi:10.1039/d0ma00791a
NLM
Ozório M da S, Oliveira WXC, Silveira JFRV, Nogueira AF, Silva JLF da. Novel zero-dimensional lead-free bismuth based perovskites:: from synthesis to structural and optoelectronic characterization [Internet]. Materials Advances. 2020 ; 1 3439-3448.[citado 2025 nov. 03 ] Available from: https://doi.org/10.1039/d0ma00791a
Vancouver
Ozório M da S, Oliveira WXC, Silveira JFRV, Nogueira AF, Silva JLF da. Novel zero-dimensional lead-free bismuth based perovskites:: from synthesis to structural and optoelectronic characterization [Internet]. Materials Advances. 2020 ; 1 3439-3448.[citado 2025 nov. 03 ] Available from: https://doi.org/10.1039/d0ma00791a
Artigo de periodico
Ab initio insights into the stabilization and binding mechanisms of MoS2 nanoflakes supported on graphene (2020)
Caturello, Naidel A. M. S ; Silveira, Julian Francisco Rama Vieira ; Silva, Juarez Lopes Ferreira da
Source: Physical Chemistry Chemical Physics - PCCP. Unidade: IQSC
Assunto: FÍSICO-QUÍMICA
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ABNT
CATURELLO, Naidel A. M. S e SILVEIRA, Julian Francisco Rama Vieira e SILVA, Juarez Lopes Ferreira da. Ab initio insights into the stabilization and binding mechanisms of MoS2 nanoflakes supported on graphene. Physical Chemistry Chemical Physics - PCCP, v. 22, p. 26865--26875, 2020Tradução . . Disponível em: https://doi.org/10.1039/D0CP04573J. Acesso em: 03 nov. 2025.
APA
Caturello, N. A. M. S., Silveira, J. F. R. V., & Silva, J. L. F. da. (2020). Ab initio insights into the stabilization and binding mechanisms of MoS2 nanoflakes supported on graphene. Physical Chemistry Chemical Physics - PCCP, 22, 26865--26875. doi:10.1039/D0CP04573J
NLM
Caturello NAMS, Silveira JFRV, Silva JLF da. Ab initio insights into the stabilization and binding mechanisms of MoS2 nanoflakes supported on graphene [Internet]. Physical Chemistry Chemical Physics - PCCP. 2020 ;22 26865--26875.[citado 2025 nov. 03 ] Available from: https://doi.org/10.1039/D0CP04573J
Vancouver
Caturello NAMS, Silveira JFRV, Silva JLF da. Ab initio insights into the stabilization and binding mechanisms of MoS2 nanoflakes supported on graphene [Internet]. Physical Chemistry Chemical Physics - PCCP. 2020 ;22 26865--26875.[citado 2025 nov. 03 ] Available from: https://doi.org/10.1039/D0CP04573J
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: 03 nov. 2025.
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 2025 nov. 03 ] 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 2025 nov. 03 ] Available from: https://doi.org/10.1021/acs.jcim.9b00792
Artigo de periodico
An ab initio investigation of the adsorption properties of water on binary AlSi clusters (2020)
Gomes, Alexandre Coelho Rodrigues ; Souza, Tiago Mendes de ; Silva, Juarez Lopes Ferreira da ; Galvão, Breno Rodrigues Lamaghere
Source: Physical Chemistry Chemical Physics - PCCP. Unidade: IQSC
Subjects: FÍSICO-QUÍMICA, ADSORÇÃO, ÁGUA
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ABNT
GOMES, Alexandre Coelho Rodrigues et al. An ab initio investigation of the adsorption properties of water on binary AlSi clusters. Physical Chemistry Chemical Physics - PCCP, v. 22, p. 24669-24676, 2020Tradução . . Disponível em: https://doi.org/10.1039/D0CP02974B. Acesso em: 03 nov. 2025.
APA
Gomes, A. C. R., Souza, T. M. de, Silva, J. L. F. da, & Galvão, B. R. L. (2020). An ab initio investigation of the adsorption properties of water on binary AlSi clusters. Physical Chemistry Chemical Physics - PCCP, 22, 24669-24676. doi:10.1039/D0CP02974B
NLM
Gomes ACR, Souza TM de, Silva JLF da, Galvão BRL. An ab initio investigation of the adsorption properties of water on binary AlSi clusters [Internet]. Physical Chemistry Chemical Physics - PCCP. 2020 ;22 24669-24676.[citado 2025 nov. 03 ] Available from: https://doi.org/10.1039/D0CP02974B
Vancouver
Gomes ACR, Souza TM de, Silva JLF da, Galvão BRL. An ab initio investigation of the adsorption properties of water on binary AlSi clusters [Internet]. Physical Chemistry Chemical Physics - PCCP. 2020 ;22 24669-24676.[citado 2025 nov. 03 ] Available from: https://doi.org/10.1039/D0CP02974B
Artigo de periodico
Machine Learning Prediction of Nine Molecular Properties Based on the SMILES Representation of the QM9 Quantum-Chemistry Dataset (2020)
Pinheiro, Gabriel A.; Mucelini, Johnatan ; Soares, Marinalva Dias ; Prati, Ronaldo Cristiano ; Silva, Juarez Lopes Ferreira da ; Quiles, Marcos Gonçalves
Source: Journal of Physical Chemistry A. Unidades: IQSC, ICMC
Assunto: QUÍMICA QUÂNTICA
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ABNT
PINHEIRO, Gabriel A. et al. Machine Learning Prediction of Nine Molecular Properties Based on the SMILES Representation of the QM9 Quantum-Chemistry Dataset. Journal of Physical Chemistry A, v. No 2020, n. 47, p. 9854–9866, 2020Tradução . . Disponível em: https://doi.org/10.1021/acs.jpca.0c05969. Acesso em: 03 nov. 2025.
APA
Pinheiro, G. A., Mucelini, J., Soares, M. D., Prati, R. C., Silva, J. L. F. da, & Quiles, M. G. (2020). Machine Learning Prediction of Nine Molecular Properties Based on the SMILES Representation of the QM9 Quantum-Chemistry Dataset. Journal of Physical Chemistry A, No 2020( 47), 9854–9866. doi:10.1021/acs.jpca.0c05969
NLM
Pinheiro GA, Mucelini J, Soares MD, Prati RC, Silva JLF da, Quiles MG. Machine Learning Prediction of Nine Molecular Properties Based on the SMILES Representation of the QM9 Quantum-Chemistry Dataset [Internet]. Journal of Physical Chemistry A. 2020 ; No 2020( 47): 9854–9866.[citado 2025 nov. 03 ] Available from: https://doi.org/10.1021/acs.jpca.0c05969
Vancouver
Pinheiro GA, Mucelini J, Soares MD, Prati RC, Silva JLF da, Quiles MG. Machine Learning Prediction of Nine Molecular Properties Based on the SMILES Representation of the QM9 Quantum-Chemistry Dataset [Internet]. Journal of Physical Chemistry A. 2020 ; No 2020( 47): 9854–9866.[citado 2025 nov. 03 ] Available from: https://doi.org/10.1021/acs.jpca.0c05969
Artigo de periodico
Adsorption of CO, NO, and H2 on the PdnAu55-n nanoclusters: DFT investigation within the van der Waals D3 corrections (2019)
Batista, Krys E. A; Silva, Juarez Lopes Ferreira da ; Piotrowski, Maurício J
Source: The Journal of Physical Chemistry C. Unidade: IQSC
Subjects: CATÁLISE, CATALISADORES
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ABNT
BATISTA, Krys E. A e SILVA, Juarez Lopes Ferreira da e PIOTROWSKI, Maurício J. Adsorption of CO, NO, and H2 on the PdnAu55-n nanoclusters: DFT investigation within the van der Waals D3 corrections. The Journal of Physical Chemistry C, v. 123, n. 12, p. 7431-7439, 2019Tradução . . Disponível em: https://doi.org/10.1021/acs.jpcc.8b12219. Acesso em: 03 nov. 2025.
APA
Batista, K. E. A., Silva, J. L. F. da, & Piotrowski, M. J. (2019). Adsorption of CO, NO, and H2 on the PdnAu55-n nanoclusters: DFT investigation within the van der Waals D3 corrections. The Journal of Physical Chemistry C, 123( 12), 7431-7439. doi:10.1021/acs.jpcc.8b12219
NLM
Batista KEA, Silva JLF da, Piotrowski MJ. Adsorption of CO, NO, and H2 on the PdnAu55-n nanoclusters: DFT investigation within the van der Waals D3 corrections [Internet]. The Journal of Physical Chemistry C. 2019 ;123( 12): 7431-7439.[citado 2025 nov. 03 ] Available from: https://doi.org/10.1021/acs.jpcc.8b12219
Vancouver
Batista KEA, Silva JLF da, Piotrowski MJ. Adsorption of CO, NO, and H2 on the PdnAu55-n nanoclusters: DFT investigation within the van der Waals D3 corrections [Internet]. The Journal of Physical Chemistry C. 2019 ;123( 12): 7431-7439.[citado 2025 nov. 03 ] Available from: https://doi.org/10.1021/acs.jpcc.8b12219
Artigo de periodico
Designing biocompatible and multicolor fluorescent hydroxyapatite nanoparticles for cell-imaging applications (2019)
Machado, T. R.; Leite, Ilaiáli Souza; Inada, Natalia Mayumi ; Siu Li, Máximo ; Silva, Juarez Lopes Ferreira da ; Andrés, J.; Beltrán-Mir, H.; Cordoncillo, E.; Longo, E.
Source: Materials Today Chemistry. Unidades: IFSC, IQSC
Subjects: HIDROXIAPATITA, FLUORESCÊNCIA, PRECIPITAÇÃO, NANOPARTÍCULAS
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
MACHADO, T. R. et al. Designing biocompatible and multicolor fluorescent hydroxyapatite nanoparticles for cell-imaging applications. Materials Today Chemistry, v. 14, p. 100211-1-100211-12, 2019Tradução . . Disponível em: https://doi.org/10.1016/j.mtchem.2019.100211. Acesso em: 03 nov. 2025.
APA
Machado, T. R., Leite, I. S., Inada, N. M., Siu Li, M., Silva, J. L. F. da, Andrés, J., et al. (2019). Designing biocompatible and multicolor fluorescent hydroxyapatite nanoparticles for cell-imaging applications. Materials Today Chemistry, 14, 100211-1-100211-12. doi:10.1016/j.mtchem.2019.100211
NLM
Machado TR, Leite IS, Inada NM, Siu Li M, Silva JLF da, Andrés J, Beltrán-Mir H, Cordoncillo E, Longo E. Designing biocompatible and multicolor fluorescent hydroxyapatite nanoparticles for cell-imaging applications [Internet]. Materials Today Chemistry. 2019 ; 14 100211-1-100211-12.[citado 2025 nov. 03 ] Available from: https://doi.org/10.1016/j.mtchem.2019.100211
Vancouver
Machado TR, Leite IS, Inada NM, Siu Li M, Silva JLF da, Andrés J, Beltrán-Mir H, Cordoncillo E, Longo E. Designing biocompatible and multicolor fluorescent hydroxyapatite nanoparticles for cell-imaging applications [Internet]. Materials Today Chemistry. 2019 ; 14 100211-1-100211-12.[citado 2025 nov. 03 ] Available from: https://doi.org/10.1016/j.mtchem.2019.100211
Artigo de periodico
Defect-induced magnetism in II-VI quantum dots (2019)
Lima, Matheus P; Cabral, L; Margapoti,Emanuela; Mahapatra, Suddahasatta; Silva, Juarez Lopes Ferreira da ; Hartmann, Fabian; Hofling, Sven; Marques, Gilmar Eugênio; Lópes-Richard, Victor
Source: Physical Review B. Unidade: IQSC
Assunto: FÍSICO-QUÍMICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
LIMA, Matheus P et al. Defect-induced magnetism in II-VI quantum dots. Physical Review B, v. 99, n. Ja 2019, p. 14424-1 - 14424-7, 2019Tradução . . Disponível em: https://doi.org/10.1103/PhysRevB.99.014424. Acesso em: 03 nov. 2025.
APA
Lima, M. P., Cabral, L., Margapoti, E., Mahapatra, S., Silva, J. L. F. da, Hartmann, F., et al. (2019). Defect-induced magnetism in II-VI quantum dots. Physical Review B, 99( Ja 2019), 14424-1 - 14424-7. doi:10.1103/PhysRevB.99.014424
NLM
Lima MP, Cabral L, Margapoti E, Mahapatra S, Silva JLF da, Hartmann F, Hofling S, Marques GE, Lópes-Richard V. Defect-induced magnetism in II-VI quantum dots [Internet]. Physical Review B. 2019 ; 99( Ja 2019): 14424-1 - 14424-7.[citado 2025 nov. 03 ] Available from: https://doi.org/10.1103/PhysRevB.99.014424
Vancouver
Lima MP, Cabral L, Margapoti E, Mahapatra S, Silva JLF da, Hartmann F, Hofling S, Marques GE, Lópes-Richard V. Defect-induced magnetism in II-VI quantum dots [Internet]. Physical Review B. 2019 ; 99( Ja 2019): 14424-1 - 14424-7.[citado 2025 nov. 03 ] Available from: https://doi.org/10.1103/PhysRevB.99.014424
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
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
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: 03 nov. 2025.
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 2025 nov. 03 ] 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 2025 nov. 03 ] Available from: https://doi.org/10.1063/1.5125689
Artigo de periodico
The Influence of Hydroxy Groups on the Adsorption of Three-Carbon Alcohols on Ni(111), Pd(111) and Pt(111) Surfaces:: A Density Functional Theory Study within the D3 Dispersion Correction (2019)
Mendes, Paulo C D; Amaral, Rafael Costa; Gomes, Janaina F; Silva, Juarez Lopes Ferreira da
Source: Physical Chemistry Chemical Physics. Unidade: IQSC
Assunto: ÁLCOOL
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
MENDES, Paulo C D et al. The Influence of Hydroxy Groups on the Adsorption of Three-Carbon Alcohols on Ni(111), Pd(111) and Pt(111) Surfaces:: A Density Functional Theory Study within the D3 Dispersion Correction. Physical Chemistry Chemical Physics, v. 21, p. 8434-8444, 2019Tradução . . Disponível em: https://doi-org.ez67.periodicos.capes.gov.br/10.1039/C9CP00752K. Acesso em: 03 nov. 2025.
APA
Mendes, P. C. D., Amaral, R. C., Gomes, J. F., & Silva, J. L. F. da. (2019). The Influence of Hydroxy Groups on the Adsorption of Three-Carbon Alcohols on Ni(111), Pd(111) and Pt(111) Surfaces:: A Density Functional Theory Study within the D3 Dispersion Correction. Physical Chemistry Chemical Physics, 21, 8434-8444. doi:10.1039/C9CP00752K
NLM
Mendes PCD, Amaral RC, Gomes JF, Silva JLF da. The Influence of Hydroxy Groups on the Adsorption of Three-Carbon Alcohols on Ni(111), Pd(111) and Pt(111) Surfaces:: A Density Functional Theory Study within the D3 Dispersion Correction [Internet]. Physical Chemistry Chemical Physics. 2019 ; 21 8434-8444.[citado 2025 nov. 03 ] Available from: https://doi-org.ez67.periodicos.capes.gov.br/10.1039/C9CP00752K
Vancouver
Mendes PCD, Amaral RC, Gomes JF, Silva JLF da. The Influence of Hydroxy Groups on the Adsorption of Three-Carbon Alcohols on Ni(111), Pd(111) and Pt(111) Surfaces:: A Density Functional Theory Study within the D3 Dispersion Correction [Internet]. Physical Chemistry Chemical Physics. 2019 ; 21 8434-8444.[citado 2025 nov. 03 ] Available from: https://doi-org.ez67.periodicos.capes.gov.br/10.1039/C9CP00752K
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: 03 nov. 2025.
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 2025 nov. 03 ] 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 2025 nov. 03 ] Available from: https://doi.org/10.1063/1.5125769
Artigo de periodico
Ab initio insights into the structural, energetic, electronic, and stability properties of mixed CenZr15 nO30 nanoclusters (2019)
Felício-Sousa, Priscilla ; Mucelini, Johnatan ; Besse, Larissa Zibordi ; Andriani, Karla Furtado ; Seminovski, Yohanna; Prati, Ronaldo Cristiano ; Silva, Juarez Lopes Ferreira da
Source: Physical Chemistry Chemical Physics. Unidade: IQSC
Subjects: FÍSICO-QUÍMICA, NANOPARTÍCULAS
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
FELÍCIO-SOUSA, Priscilla et al. Ab initio insights into the structural, energetic, electronic, and stability properties of mixed CenZr15 nO30 nanoclusters. Physical Chemistry Chemical Physics, v. 21, p. 26637-26646, 2019Tradução . . Disponível em: https://doi-org.ez67.periodicos.capes.gov.br/10.1039/C9CP04762J. Acesso em: 03 nov. 2025.
APA
Felício-Sousa, P., Mucelini, J., Besse, L. Z., Andriani, K. F., Seminovski, Y., Prati, R. C., & Silva, J. L. F. da. (2019). Ab initio insights into the structural, energetic, electronic, and stability properties of mixed CenZr15 nO30 nanoclusters. Physical Chemistry Chemical Physics, 21, 26637-26646. doi:10.1039/c9cp04762j
NLM
Felício-Sousa P, Mucelini J, Besse LZ, Andriani KF, Seminovski Y, Prati RC, Silva JLF da. Ab initio insights into the structural, energetic, electronic, and stability properties of mixed CenZr15 nO30 nanoclusters [Internet]. Physical Chemistry Chemical Physics. 2019 ; 21 26637-26646.[citado 2025 nov. 03 ] Available from: https://doi-org.ez67.periodicos.capes.gov.br/10.1039/C9CP04762J
Vancouver
Felício-Sousa P, Mucelini J, Besse LZ, Andriani KF, Seminovski Y, Prati RC, Silva JLF da. Ab initio insights into the structural, energetic, electronic, and stability properties of mixed CenZr15 nO30 nanoclusters [Internet]. Physical Chemistry Chemical Physics. 2019 ; 21 26637-26646.[citado 2025 nov. 03 ] Available from: https://doi-org.ez67.periodicos.capes.gov.br/10.1039/C9CP04762J

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