ReP USP - Resultado da busca

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
Fonte: The Journal of Chemical Physics. Unidade: IQSC
Assuntos: CATÁLISE, CATALISADORES, PROCESSOS QUÍMICOS, NANOPARTÍCULAS
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
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: 11 jul. 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 jul. 11 ] 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 jul. 11 ] Available from: https://doi.org/10.1063/5.0196840
Artigo de periodico
Decoding Van der Waals Impact on Chirality Transfer in Perovskite Structures: Density Functional Theory Insights (2024)
González, José E.; Besse, Rafael; Lima, Matheus P.; Silva, Juarez Lopes Ferreira da
Fonte: Journal of Chemical Information and Modeling. Unidade: IQSC
Assuntos: ENERGIA, QUÍMICA TEÓRICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
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: 11 jul. 2024.
APA
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
NLM
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 jul. 11 ] 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 jul. 11 ] Available from: https://doi.org/10.1021/acs.jcim.3c01895
Artigo de periodico
Atomistic insights from DFT calculations into the catalytic properties on ceria-lanthanum clusters for methane activation (2024)
Peraça, Carina S. T.; Bittencourt, Albert F. B ; Bezerra, Raquel C.; Silva, Juarez Lopes Ferreira da
Fonte: The Journal of Chemical Physics. Unidade: IQSC
Assuntos: CÉRIO, LANTÂNIO, METANO
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
PERAÇA, Carina S. T. et al. Atomistic insights from DFT calculations into the catalytic properties on ceria-lanthanum clusters for methane activation. The Journal of Chemical Physics, v. 160, p. 244108-1, 2024Tradução . . Disponível em: https://doi.org/10.1063/5.0198986. Acesso em: 11 jul. 2024.
APA
Peraça, C. S. T., Bittencourt, A. F. B., Bezerra, R. C., & Silva, J. L. F. da. (2024). Atomistic insights from DFT calculations into the catalytic properties on ceria-lanthanum clusters for methane activation. The Journal of Chemical Physics, 160, 244108-1. doi:10.1063/5.0198986
NLM
Peraça CST, Bittencourt AFB, Bezerra RC, Silva JLF da. Atomistic insights from DFT calculations into the catalytic properties on ceria-lanthanum clusters for methane activation [Internet]. The Journal of Chemical Physics. 2024 ;160 244108-1.[citado 2024 jul. 11 ] Available from: https://doi.org/10.1063/5.0198986
Vancouver
Peraça CST, Bittencourt AFB, Bezerra RC, Silva JLF da. Atomistic insights from DFT calculations into the catalytic properties on ceria-lanthanum clusters for methane activation [Internet]. The Journal of Chemical Physics. 2024 ;160 244108-1.[citado 2024 jul. 11 ] Available from: https://doi.org/10.1063/5.0198986
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.
Fonte: The Journal of Chemical Physics. Unidade: IQSC
Assuntos: CATALISADORES, PRATA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
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: 11 jul. 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 jul. 11 ] 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 jul. 11 ] Available from: https://doi.org/10.1063/5.0192055
Artigo de periodico
The Impact of Interdisciplinary, Gender and Geographic Distributions on the Citation Patterns of the Journal of Chemical Information and Modeling (2024)
Prati, Ronaldo C.; Rodrigues, Bruno S. M.; Aragão, Iberis; Soares, Thereza A. ; Quiles, Marcos Gonçalves ; Silva, Juarez Lopes Ferreira da
Fonte: Journal of Chemical Information and Modeling. Unidade: IQSC
Assuntos: BIOENGENHARIA, BIOTECNOLOGIA, BIOLOGIA, MATERIAIS
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
PRATI, Ronaldo C. et al. The Impact of Interdisciplinary, Gender and Geographic Distributions on the Citation Patterns of the Journal of Chemical Information and Modeling. Journal of Chemical Information and Modeling, v. 64, n. 4, p. 1107–1111, 2024Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.3c02014. Acesso em: 11 jul. 2024.
APA
Prati, R. C., Rodrigues, B. S. M., Aragão, I., Soares, T. A., Quiles, M. G., & Silva, J. L. F. da. (2024). The Impact of Interdisciplinary, Gender and Geographic Distributions on the Citation Patterns of the Journal of Chemical Information and Modeling. Journal of Chemical Information and Modeling, 64( 4), 1107–1111. doi:10.1021/acs.jcim.3c02014
NLM
Prati RC, Rodrigues BSM, Aragão I, Soares TA, Quiles MG, Silva JLF da. The Impact of Interdisciplinary, Gender and Geographic Distributions on the Citation Patterns of the Journal of Chemical Information and Modeling [Internet]. Journal of Chemical Information and Modeling. 2024 ;64( 4): 1107–1111.[citado 2024 jul. 11 ] Available from: https://doi.org/10.1021/acs.jcim.3c02014
Vancouver
Prati RC, Rodrigues BSM, Aragão I, Soares TA, Quiles MG, Silva JLF da. The Impact of Interdisciplinary, Gender and Geographic Distributions on the Citation Patterns of the Journal of Chemical Information and Modeling [Internet]. Journal of Chemical Information and Modeling. 2024 ;64( 4): 1107–1111.[citado 2024 jul. 11 ] Available from: https://doi.org/10.1021/acs.jcim.3c02014
Artigo de periodico
Theoretical Investigation of the Role of Mixed A+ Cations in the Structure, Stability, and Electronic Properties of Perovskite Alloys (2023)
Santos, Ramiro M. dos; Cruz, Iván Ornelas; Dias, Alexandre Cavalheiro ; Lima, Matheus P.; Silva, Juarez Lopes Ferreira da
Fonte: ACS Applied Energy Materials. Unidade: IQSC
Assuntos: ESTABILIDADE ESTRUTURAL, QUÍMICA TEÓRICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
SANTOS, Ramiro M. dos et al. Theoretical Investigation of the Role of Mixed A+ Cations in the Structure, Stability, and Electronic Properties of Perovskite Alloys. ACS Applied Energy Materials, v. 6, p. 5259-5273, 2023Tradução . . Disponível em: https://doi.org/10.1021/acsaem.3c00186. Acesso em: 11 jul. 2024.
APA
Santos, R. M. dos, Cruz, I. O., Dias, A. C., Lima, M. P., & Silva, J. L. F. da. (2023). Theoretical Investigation of the Role of Mixed A+ Cations in the Structure, Stability, and Electronic Properties of Perovskite Alloys. ACS Applied Energy Materials, 6, 5259-5273. doi:10.1021/acsaem.3c00186
NLM
Santos RM dos, Cruz IO, Dias AC, Lima MP, Silva JLF da. Theoretical Investigation of the Role of Mixed A+ Cations in the Structure, Stability, and Electronic Properties of Perovskite Alloys [Internet]. ACS Applied Energy Materials. 2023 ;6 5259-5273.[citado 2024 jul. 11 ] Available from: https://doi.org/10.1021/acsaem.3c00186
Vancouver
Santos RM dos, Cruz IO, Dias AC, Lima MP, Silva JLF da. Theoretical Investigation of the Role of Mixed A+ Cations in the Structure, Stability, and Electronic Properties of Perovskite Alloys [Internet]. ACS Applied Energy Materials. 2023 ;6 5259-5273.[citado 2024 jul. 11 ] Available from: https://doi.org/10.1021/acsaem.3c00186
Artigo de periodico
Theoretical Insights into Methane Activation on Transition-Metal Single-Atom Catalysts Supported on the CeO2(111) Surface (2023)
MORAES, PEDRO IVO RODRIGUES; Bittencourt, Albert F. B ; Andriani, Karla Furtado ; Silva, Juarez Lopes Ferreira da
Fonte: Journal of Physical Chemistry C. Unidade: IQSC
Assuntos: HIDROCARBONOS, ENERGIA, ÍONS
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
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: 11 jul. 2024.
APA
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
NLM
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 jul. 11 ] 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 jul. 11 ] Available from: https://doi.org/10.1021/acs.jpcc.3c02653
Artigo de periodico
Role of the Adsorption of Alkali Cations on Ultrathin n-Layers of Two-Dimensional Perovskites (2023)
Ribeiro, Israel C.; MORAES, PEDRO IVO RODRIGUES; Bittencourt, Albert F. B ; Silva, Juarez Lopes Ferreira da
Fonte: The Journal of Physical Chemistry Part C. Unidade: IQSC
Assuntos: CONDUTIVIDADE ELÉTRICA, ÍONS
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
RIBEIRO, Israel C. et al. Role of the Adsorption of Alkali Cations on Ultrathin n-Layers of Two-Dimensional Perovskites. The Journal of Physical Chemistry Part C, v. 127, n. 28, p. 13667–13677, 2023Tradução . . Disponível em: https://doi.org/10.1021/acs.jpcc.3c01894. Acesso em: 11 jul. 2024.
APA
Ribeiro, I. C., MORAES, P. E. D. R. O. I. V. O. R. O. D. R. I. G. U. E. S., Bittencourt, A. F. B., & Silva, J. L. F. da. (2023). Role of the Adsorption of Alkali Cations on Ultrathin n-Layers of Two-Dimensional Perovskites. The Journal of Physical Chemistry Part C, 127( 28), 13667–13677. doi:10.1021/acs.jpcc.3c01894
NLM
Ribeiro IC, MORAES PEDROIVORODRIGUES, Bittencourt AFB, Silva JLF da. Role of the Adsorption of Alkali Cations on Ultrathin n-Layers of Two-Dimensional Perovskites [Internet]. The Journal of Physical Chemistry Part C. 2023 ; 127( 28): 13667–13677.[citado 2024 jul. 11 ] Available from: https://doi.org/10.1021/acs.jpcc.3c01894
Vancouver
Ribeiro IC, MORAES PEDROIVORODRIGUES, Bittencourt AFB, Silva JLF da. Role of the Adsorption of Alkali Cations on Ultrathin n-Layers of Two-Dimensional Perovskites [Internet]. The Journal of Physical Chemistry Part C. 2023 ; 127( 28): 13667–13677.[citado 2024 jul. 11 ] Available from: https://doi.org/10.1021/acs.jpcc.3c01894
Artigo de periodico
Underlying mechanisms of gold nanoalloys stabilization (2023)
Pena, Lucas B.; Silva, Lucas R. da; Silva, Juarez Lopes Ferreira da ; Galvão, Breno R. L.
Fonte: Thr Journal of Chemical Physics. Unidade: IQSC
Assuntos: NANOPARTÍCULAS, OURO
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
PENA, Lucas B. et al. Underlying mechanisms of gold nanoalloys stabilization. Thr Journal of Chemical Physics, v. 159, p. 244310, 2023Tradução . . Disponível em: https://doi.org/10.1063/5.0180906. Acesso em: 11 jul. 2024.
APA
Pena, L. B., Silva, L. R. da, Silva, J. L. F. da, & Galvão, B. R. L. (2023). Underlying mechanisms of gold nanoalloys stabilization. Thr Journal of Chemical Physics, 159, 244310. doi:10.1063/5.0180906
NLM
Pena LB, Silva LR da, Silva JLF da, Galvão BRL. Underlying mechanisms of gold nanoalloys stabilization [Internet]. Thr Journal of Chemical Physics. 2023 ;159 244310.[citado 2024 jul. 11 ] Available from: https://doi.org/10.1063/5.0180906
Vancouver
Pena LB, Silva LR da, Silva JLF da, Galvão BRL. Underlying mechanisms of gold nanoalloys stabilization [Internet]. Thr Journal of Chemical Physics. 2023 ;159 244310.[citado 2024 jul. 11 ] Available from: https://doi.org/10.1063/5.0180906
Artigo de periodico
Crystal structure and electrical and optical properties of two-dimensional group-IV monochalcogenides (2023)
Querne, Mateus Bazan Peters ; Bracht, Jean M; Silva, Juarez Lopes Ferreira da ; Janotti, Anderson; Lima, Matheus P
Fonte: Physical Review B. Unidade: IQSC
Assuntos: SEMICONDUTORES, CRISTALOGRAFIA FÍSICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
QUERNE, Mateus Bazan Peters et al. Crystal structure and electrical and optical properties of two-dimensional group-IV monochalcogenides. Physical Review B, p. 085409, 2023Tradução . . Disponível em: https://doi.org/10.1103/PhysRevB.108.085409. Acesso em: 11 jul. 2024.
APA
Querne, M. B. P., Bracht, J. M., Silva, J. L. F. da, Janotti, A., & Lima, M. P. (2023). Crystal structure and electrical and optical properties of two-dimensional group-IV monochalcogenides. Physical Review B, 085409. doi:10.1103/PhysRevB.108.085409
NLM
Querne MBP, Bracht JM, Silva JLF da, Janotti A, Lima MP. Crystal structure and electrical and optical properties of two-dimensional group-IV monochalcogenides [Internet]. Physical Review B. 2023 ; 085409.[citado 2024 jul. 11 ] Available from: https://doi.org/10.1103/PhysRevB.108.085409
Vancouver
Querne MBP, Bracht JM, Silva JLF da, Janotti A, Lima MP. Crystal structure and electrical and optical properties of two-dimensional group-IV monochalcogenides [Internet]. Physical Review B. 2023 ; 085409.[citado 2024 jul. 11 ] Available from: https://doi.org/10.1103/PhysRevB.108.085409
Artigo de periodico
The Role of M3+ Substitutional Doping (M = In, Sb, Bi) in the Passivation of the α-CsPbI3(100) Surface (2023)
Torres, Israel S.; Silva, Juarez Lopes Ferreira da ; Lima, Matheus P.
Fonte: The Journal of Physical Chemistry Part C. Unidade: IQSC
Assuntos: QUÍMICA TEÓRICA, QUÍMICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
TORRES, Israel S. e SILVA, Juarez Lopes Ferreira da e LIMA, Matheus P. The Role of M3+ Substitutional Doping (M = In, Sb, Bi) in the Passivation of the α-CsPbI3(100) Surface. The Journal of Physical Chemistry Part C, p. 1713−1721, 2023Tradução . . Disponível em: https://doi.org/10.1021/acs.jpcc.2c07332. Acesso em: 11 jul. 2024.
APA
Torres, I. S., Silva, J. L. F. da, & Lima, M. P. (2023). The Role of M3+ Substitutional Doping (M = In, Sb, Bi) in the Passivation of the α-CsPbI3(100) Surface. The Journal of Physical Chemistry Part C, 1713−1721. doi:10.1021/acs.jpcc.2c07332
NLM
Torres IS, Silva JLF da, Lima MP. The Role of M3+ Substitutional Doping (M = In, Sb, Bi) in the Passivation of the α-CsPbI3(100) Surface [Internet]. The Journal of Physical Chemistry Part C. 2023 ;1713−1721.[citado 2024 jul. 11 ] Available from: https://doi.org/10.1021/acs.jpcc.2c07332
Vancouver
Torres IS, Silva JLF da, Lima MP. The Role of M3+ Substitutional Doping (M = In, Sb, Bi) in the Passivation of the α-CsPbI3(100) Surface [Internet]. The Journal of Physical Chemistry Part C. 2023 ;1713−1721.[citado 2024 jul. 11 ] Available from: https://doi.org/10.1021/acs.jpcc.2c07332
Artigo de periodico
Tailoring excitonic and optoelectronic properties of transition metal dichalcogenide bilayers (2022)
Silveira, Julian Francisco Rama Vieira ; Besse, Rafael ; Dias, Alexandre Cavalheiro ; Caturello, Naidel A. M. S. ; Silva, Juarez Lopes Ferreira da
Fonte: Journal of Physical Chemistry C. Unidades: IQSC, IFSC
Assuntos: FÍSICO-QUÍMICA, METAIS, QUÍMICA TEÓRICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
SILVEIRA, Julian Francisco Rama Vieira et al. Tailoring excitonic and optoelectronic properties of transition metal dichalcogenide bilayers. Journal of Physical Chemistry C, v. 126, n. 21, p. 9173-9184, 2022Tradução . . Disponível em: https://doi.org/10.1021/acs.jpcc.2c02023. Acesso em: 11 jul. 2024.
APA
Silveira, J. F. R. V., Besse, R., Dias, A. C., Caturello, N. A. M. S., & Silva, J. L. F. da. (2022). Tailoring excitonic and optoelectronic properties of transition metal dichalcogenide bilayers. Journal of Physical Chemistry C, 126( 21), 9173-9184. doi:10.1021/acs.jpcc.2c02023
NLM
Silveira JFRV, Besse R, Dias AC, Caturello NAMS, Silva JLF da. Tailoring excitonic and optoelectronic properties of transition metal dichalcogenide bilayers [Internet]. Journal of Physical Chemistry C. 2022 ; 126( 21): 9173-9184.[citado 2024 jul. 11 ] Available from: https://doi.org/10.1021/acs.jpcc.2c02023
Vancouver
Silveira JFRV, Besse R, Dias AC, Caturello NAMS, Silva JLF da. Tailoring excitonic and optoelectronic properties of transition metal dichalcogenide bilayers [Internet]. Journal of Physical Chemistry C. 2022 ; 126( 21): 9173-9184.[citado 2024 jul. 11 ] Available from: https://doi.org/10.1021/acs.jpcc.2c02023
Artigo de periodico
Ab Initio Investigation of CH4 Dehydrogenation on a (CeO2)10 Cluster (2022)
Peraça, Carina S. T.; Andriani, Karla Furtado ; Piotrowski, Maurício J.; Silva, Juarez Lopes Ferreira da
Fonte: The Journal of Physical Chemistry Part C. Unidade: IQSC
Assuntos: ADSORÇÃO, ENERGIA, MOLÉCULA, REAÇÕES ORGÂNICAS
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
PERAÇA, Carina S. T. et al. Ab Initio Investigation of CH4 Dehydrogenation on a (CeO2)10 Cluster. The Journal of Physical Chemistry Part C, v. 126, p. 11937−11948, 2022Tradução . . Disponível em: https://doi.org/10.1021/acs.jpcc.2c02038. Acesso em: 11 jul. 2024.
APA
Peraça, C. S. T., Andriani, K. F., Piotrowski, M. J., & Silva, J. L. F. da. (2022). Ab Initio Investigation of CH4 Dehydrogenation on a (CeO2)10 Cluster. The Journal of Physical Chemistry Part C, 126, 11937−11948. doi:10.1021/acs.jpcc.2c02038
NLM
Peraça CST, Andriani KF, Piotrowski MJ, Silva JLF da. Ab Initio Investigation of CH4 Dehydrogenation on a (CeO2)10 Cluster [Internet]. The Journal of Physical Chemistry Part C. 2022 ; 126 11937−11948.[citado 2024 jul. 11 ] Available from: https://doi.org/10.1021/acs.jpcc.2c02038
Vancouver
Peraça CST, Andriani KF, Piotrowski MJ, Silva JLF da. Ab Initio Investigation of CH4 Dehydrogenation on a (CeO2)10 Cluster [Internet]. The Journal of Physical Chemistry Part C. 2022 ; 126 11937−11948.[citado 2024 jul. 11 ] Available from: https://doi.org/10.1021/acs.jpcc.2c02038
Artigo de periodico
Improving the Stability and Efficiency of Perovskite Solar Cells by a Bidentate Anilinium Salt (2022)
Scalon, Lucas; Szostak, Rodrigo; Araújo, Francineide L.; Adriani, Karla F.; Silveira, Julian Francisco Rama Vieira ; Oliveira, Willian X. C. ; Silva, Juarez Lopes Ferreira da ; Oliveira, Caio C.; Nogueira, Ana Flávia
Fonte: Journal of the American Chemical Society. Unidade: IQSC
Assunto: CÉLULAS SOLARES
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
SCALON, Lucas et al. Improving the Stability and Efficiency of Perovskite Solar Cells by a Bidentate Anilinium Salt. Journal of the American Chemical Society, v. 6, p. 1306-1312, 2022Tradução . . Disponível em: https://doi.org/10.1021/jacsau.2c00151. Acesso em: 11 jul. 2024.
APA
Scalon, L., Szostak, R., Araújo, F. L., Adriani, K. F., Silveira, J. F. R. V., Oliveira, W. X. C., et al. (2022). Improving the Stability and Efficiency of Perovskite Solar Cells by a Bidentate Anilinium Salt. Journal of the American Chemical Society, 6, 1306-1312. doi:10.1021/jacsau.2c00151
NLM
Scalon L, Szostak R, Araújo FL, Adriani KF, Silveira JFRV, Oliveira WXC, Silva JLF da, Oliveira CC, Nogueira AF. Improving the Stability and Efficiency of Perovskite Solar Cells by a Bidentate Anilinium Salt [Internet]. Journal of the American Chemical Society. 2022 ; 6 1306-1312.[citado 2024 jul. 11 ] Available from: https://doi.org/10.1021/jacsau.2c00151
Vancouver
Scalon L, Szostak R, Araújo FL, Adriani KF, Silveira JFRV, Oliveira WXC, Silva JLF da, Oliveira CC, Nogueira AF. Improving the Stability and Efficiency of Perovskite Solar Cells by a Bidentate Anilinium Salt [Internet]. Journal of the American Chemical Society. 2022 ; 6 1306-1312.[citado 2024 jul. 11 ] Available from: https://doi.org/10.1021/jacsau.2c00151
Trabalho de evento-resumo
An ab initio investigation of groups III-V monochalcogenides (2022)
Querne, Mateus Bazan Peters ; Bracht, Jean M; Silva, Juarez Lopes Ferreira da ; Janotti, Anderson; Lima, Matheus Paes
Fonte: Bulletin of the American Physical Society. Nome do evento: APS March Meeting 2022. Unidade: IQSC
Assuntos: FÍSICO-QUÍMICA, MATERIAIS
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
QUERNE, Mateus Bazan Peters et al. An ab initio investigation of groups III-V monochalcogenides. 2022, Anais.. Chicago: Instituto de Química de São Carlos, Universidade de São Paulo, 2022. Disponível em: https://meetings.aps.org/Meeting/MAR22/Session/Z60. Acesso em: 11 jul. 2024.
APA
Querne, M. B. P., Bracht, J. M., Silva, J. L. F. da, Janotti, A., & Lima, M. P. (2022). An ab initio investigation of groups III-V monochalcogenides. In Bulletin of the American Physical Society. Chicago: Instituto de Química de São Carlos, Universidade de São Paulo. Recuperado de https://meetings.aps.org/Meeting/MAR22/Session/Z60
NLM
Querne MBP, Bracht JM, Silva JLF da, Janotti A, Lima MP. An ab initio investigation of groups III-V monochalcogenides [Internet]. Bulletin of the American Physical Society. 2022 ;[citado 2024 jul. 11 ] Available from: https://meetings.aps.org/Meeting/MAR22/Session/Z60
Vancouver
Querne MBP, Bracht JM, Silva JLF da, Janotti A, Lima MP. An ab initio investigation of groups III-V monochalcogenides [Internet]. Bulletin of the American Physical Society. 2022 ;[citado 2024 jul. 11 ] Available from: https://meetings.aps.org/Meeting/MAR22/Session/Z60
Artigo de periodico
Prediction of Effective Photoelectron and Hole Separation in Type‑I MoS2/PtSe2 van der Waals Junction (2022)
Besse, Rafael ; Wang, Han; West, Damien; Silva, Juarez Lopes Ferreira da ; Zhang, Shengbai
Fonte: The Journal of Physical Chemistry Letters. Unidade: IQSC
Assuntos: CONDUTIVIDADE ELÉTRICA, ENERGIA ELÉTRICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
BESSE, Rafael et al. Prediction of Effective Photoelectron and Hole Separation in Type‑I MoS2/PtSe2 van der Waals Junction. The Journal of Physical Chemistry Letters, v. 13, p. 6407−6411, 2022Tradução . . Disponível em: https://doi.org/10.1021/acs.jpclett.2c01526. Acesso em: 11 jul. 2024.
APA
Besse, R., Wang, H., West, D., Silva, J. L. F. da, & Zhang, S. (2022). Prediction of Effective Photoelectron and Hole Separation in Type‑I MoS2/PtSe2 van der Waals Junction. The Journal of Physical Chemistry Letters, 13, 6407−6411. doi:10.1021/acs.jpclett.2c01526
NLM
Besse R, Wang H, West D, Silva JLF da, Zhang S. Prediction of Effective Photoelectron and Hole Separation in Type‑I MoS2/PtSe2 van der Waals Junction [Internet]. The Journal of Physical Chemistry Letters. 2022 ;13 6407−6411.[citado 2024 jul. 11 ] Available from: https://doi.org/10.1021/acs.jpclett.2c01526
Vancouver
Besse R, Wang H, West D, Silva JLF da, Zhang S. Prediction of Effective Photoelectron and Hole Separation in Type‑I MoS2/PtSe2 van der Waals Junction [Internet]. The Journal of Physical Chemistry Letters. 2022 ;13 6407−6411.[citado 2024 jul. 11 ] Available from: https://doi.org/10.1021/acs.jpclett.2c01526
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
Fonte: The Journal of Chemical Physics. Unidade: IQSC
Assuntos: 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. 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: 11 jul. 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 jul. 11 ] 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 jul. 11 ] Available from: https://aip.scitation.org/doi/pdf/10.1063/5.0085364
Artigo de periodico
Theoretical Framework Based on Molecular Dynamics and Data Mining Analyses for the Study of Potential Energy Surfaces of FiniteSize Particles (2022)
Mendonça, João Paulo A. de ; Calderan, Felipe V.; Lourenço, Tuanan da Costa ; Quiles, Marcos G.; Silva, Juarez Lopes Ferreira da
Fonte: Journal of Chemical Information and Modeling. Unidade: IQSC
Assuntos: COMBUSTÍVEIS, COBRE, NANOCOMPOSITOS
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
MENDONÇA, João Paulo A. de et al. Theoretical Framework Based on Molecular Dynamics and Data Mining Analyses for the Study of Potential Energy Surfaces of FiniteSize Particles. Journal of Chemical Information and Modeling, v. 27, p. 5503-5512, 2022Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.2c00957. Acesso em: 11 jul. 2024.
APA
Mendonça, J. P. A. de, Calderan, F. V., Lourenço, T. da C., Quiles, M. G., & Silva, J. L. F. da. (2022). Theoretical Framework Based on Molecular Dynamics and Data Mining Analyses for the Study of Potential Energy Surfaces of FiniteSize Particles. Journal of Chemical Information and Modeling, 27, 5503-5512. doi:10.1021/acs.jcim.2c00957
NLM
Mendonça JPA de, Calderan FV, Lourenço T da C, Quiles MG, Silva JLF da. Theoretical Framework Based on Molecular Dynamics and Data Mining Analyses for the Study of Potential Energy Surfaces of FiniteSize Particles [Internet]. Journal of Chemical Information and Modeling. 2022 ; 27 5503-5512.[citado 2024 jul. 11 ] Available from: https://doi.org/10.1021/acs.jcim.2c00957
Vancouver
Mendonça JPA de, Calderan FV, Lourenço T da C, Quiles MG, Silva JLF da. Theoretical Framework Based on Molecular Dynamics and Data Mining Analyses for the Study of Potential Energy Surfaces of FiniteSize Particles [Internet]. Journal of Chemical Information and Modeling. 2022 ; 27 5503-5512.[citado 2024 jul. 11 ] Available from: https://doi.org/10.1021/acs.jcim.2c00957
Artigo de periodico
SMICLR: Contrastive Learning on Multiple Molecular Representations for Semisupervised and Unsupervised Representation Learning (2022)
Pinheiro, Gabriel A.; Silva, Juarez Lopes Ferreira da ; Quiles, Marcos Gonçalves
Fonte: Journal of Chemical Information and Modeling. Unidade: IQSC
Assuntos: MODELAGEM MOLECULAR, MOLÉCULA, QUÍMICA TEÓRICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
PINHEIRO, Gabriel A. e SILVA, Juarez Lopes Ferreira da e QUILES, Marcos Gonçalves. SMICLR: Contrastive Learning on Multiple Molecular Representations for Semisupervised and Unsupervised Representation Learning. Journal of Chemical Information and Modeling, v. 62, n. 17, p. 3948–3960, 2022Tradução . . Disponível em: https://doi.org/10.1021/acs.jcim.2c00521. Acesso em: 11 jul. 2024.
APA
Pinheiro, G. A., Silva, J. L. F. da, & Quiles, M. G. (2022). SMICLR: Contrastive Learning on Multiple Molecular Representations for Semisupervised and Unsupervised Representation Learning. Journal of Chemical Information and Modeling, 62( 17), 3948–3960. doi:10.1021/acs.jcim.2c00521
NLM
Pinheiro GA, Silva JLF da, Quiles MG. SMICLR: Contrastive Learning on Multiple Molecular Representations for Semisupervised and Unsupervised Representation Learning [Internet]. Journal of Chemical Information and Modeling. 2022 ; 62( 17): 3948–3960.[citado 2024 jul. 11 ] Available from: https://doi.org/10.1021/acs.jcim.2c00521
Vancouver
Pinheiro GA, Silva JLF da, Quiles MG. SMICLR: Contrastive Learning on Multiple Molecular Representations for Semisupervised and Unsupervised Representation Learning [Internet]. Journal of Chemical Information and Modeling. 2022 ; 62( 17): 3948–3960.[citado 2024 jul. 11 ] Available from: https://doi.org/10.1021/acs.jcim.2c00521
Artigo de periodico
Screening of the Role of the Chemical Structure in the Electrochemical Stability Window of Ionic Liquids: DFT Calculations Combined with Data Mining (2022)
Moraes, Alex S.; Pinheiro, Gabriel A.; Lourenço, Tuanan da Costa ; Lopes, Mauro C.; Quiles, Marcos G.; Dias, Luis G. ; Silva, Juarez Lopes Ferreira da
Fonte: Journal of Chemical Information and Modeling. Unidades: FFCLRP, IQSC
Assuntos: ÍONS ELETRÔNICOS, ESTRUTURA ATÔMICA (QUÍMICA TEÓRICA), ENERGIA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
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: 11 jul. 2024.
APA
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
NLM
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 jul. 11 ] 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 jul. 11 ] Available from: https://doi.org/10.1021/acs.jcim.2c00748

Unidades USP

ReP

Filtros

Unidades USP

Autores

Autores USP

Ano de publicação

Assuntos

Título da fonte

Grupo de pesquisa

Agência de fomento

Indexado em

Afiliação dos autores externos normalizada

Afiliação dos autores externos não normalizada

País das instituições de afiliação dos autores externos