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Artigo de periodico
Assignment of individual structures from intermetalloid nickel gallium cluster ensembles (2024)
Muhr, Maximilian; Stephan, Johannes; Staiger, Lena; Hemmer, Karina; Schütz, Max; Heiß, Patricia; Jandl, Christian; Cokoja, Mirza; Kratky, Tim; Günther, Sebastian; Huber, Dominik; Kahlal, Samia; Saillard, Jean Yves; Cador, Olivier; Silva, Augusto Cesar Huppes da ; Silva, Juarez Lopes Ferreira da ; Mink, Janos; Gemel, Christian; Fischer, Roland A.
Source: Communications Chemistry. Unidade: IQSC
Subjects: NÍQUEL, GÁLIO, METAIS
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ABNT
MUHR, Maximilian et al. Assignment of individual structures from intermetalloid nickel gallium cluster ensembles. Communications Chemistry, p. 7-29, 2024Tradução . . Disponível em: https://doi.org/10.1038/s42004-024-01110-9. Acesso em: 01 out. 2024.
APA
Muhr, M., Stephan, J., Staiger, L., Hemmer, K., Schütz, M., Heiß, P., et al. (2024). Assignment of individual structures from intermetalloid nickel gallium cluster ensembles. Communications Chemistry, 7-29. doi:10.1038/s42004-024-01110-9
NLM
Muhr M, Stephan J, Staiger L, Hemmer K, Schütz M, Heiß P, Jandl C, Cokoja M, Kratky T, Günther S, Huber D, Kahlal S, Saillard JY, Cador O, Silva ACH da, Silva JLF da, Mink J, Gemel C, Fischer RA. Assignment of individual structures from intermetalloid nickel gallium cluster ensembles [Internet]. Communications Chemistry. 2024 ;7-29.[citado 2024 out. 01 ] Available from: https://doi.org/10.1038/s42004-024-01110-9
Vancouver
Muhr M, Stephan J, Staiger L, Hemmer K, Schütz M, Heiß P, Jandl C, Cokoja M, Kratky T, Günther S, Huber D, Kahlal S, Saillard JY, Cador O, Silva ACH da, Silva JLF da, Mink J, Gemel C, Fischer RA. Assignment of individual structures from intermetalloid nickel gallium cluster ensembles [Internet]. Communications Chemistry. 2024 ;7-29.[citado 2024 out. 01 ] Available from: https://doi.org/10.1038/s42004-024-01110-9
Artigo de periodico
Single-atom catalysts on ceria substrates: Exploring cluster and surface effects on methane activation (2024)
Moraes, Pedro Ivo R. ; Peraça, Carina S.T.; Silva, Juarez Lopes Ferreira da
Source: Molecular Catalysis. Unidade: IQSC
Subjects: CATÁLISE, METANO
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ABNT
MORAES, Pedro Ivo R. e PERAÇA, Carina S.T. e SILVA, Juarez Lopes Ferreira da. Single-atom catalysts on ceria substrates: Exploring cluster and surface effects on methane activation. Molecular Catalysis, v. 564, p. 114318, 2024Tradução . . Disponível em: https://doi.org/10.1016/j.mcat.2024.114318. Acesso em: 01 out. 2024.
APA
Moraes, P. I. R., Peraça, C. S. T., & Silva, J. L. F. da. (2024). Single-atom catalysts on ceria substrates: Exploring cluster and surface effects on methane activation. Molecular Catalysis, 564, 114318. doi:10.1016/j.mcat.2024.114318
NLM
Moraes PIR, Peraça CST, Silva JLF da. Single-atom catalysts on ceria substrates: Exploring cluster and surface effects on methane activation [Internet]. Molecular Catalysis. 2024 ;564 114318.[citado 2024 out. 01 ] Available from: https://doi.org/10.1016/j.mcat.2024.114318
Vancouver
Moraes PIR, Peraça CST, Silva JLF da. Single-atom catalysts on ceria substrates: Exploring cluster and surface effects on methane activation [Internet]. Molecular Catalysis. 2024 ;564 114318.[citado 2024 out. 01 ] Available from: https://doi.org/10.1016/j.mcat.2024.114318
Artigo de periodico
Ab initio investigation of the adsorption properties of molecules on MoS2 pristine and with sulfur vacancy (2024)
Regis, Natan M.; Silva, Juarez Lopes Ferreira da ; Lima, Matheus P.
Source: Materials Today Communications. Unidade: IQSC
Subjects: MATERIAIS, SENSOR
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ABNT
REGIS, Natan M. e SILVA, Juarez Lopes Ferreira da e LIMA, Matheus P. Ab initio investigation of the adsorption properties of molecules on MoS2 pristine and with sulfur vacancy. Materials Today Communications, v. 38, p. 107710, 2024Tradução . . Disponível em: https://doi.org/10.1016/j.mtcomm.2023.107710. Acesso em: 01 out. 2024.
APA
Regis, N. M., Silva, J. L. F. da, & Lima, M. P. (2024). Ab initio investigation of the adsorption properties of molecules on MoS2 pristine and with sulfur vacancy. Materials Today Communications, 38, 107710. doi:10.1016/j.mtcomm.2023.107710
NLM
Regis NM, Silva JLF da, Lima MP. Ab initio investigation of the adsorption properties of molecules on MoS2 pristine and with sulfur vacancy [Internet]. Materials Today Communications. 2024 ;38 107710.[citado 2024 out. 01 ] Available from: https://doi.org/10.1016/j.mtcomm.2023.107710
Vancouver
Regis NM, Silva JLF da, Lima MP. Ab initio investigation of the adsorption properties of molecules on MoS2 pristine and with sulfur vacancy [Internet]. Materials Today Communications. 2024 ;38 107710.[citado 2024 out. 01 ] Available from: https://doi.org/10.1016/j.mtcomm.2023.107710
Artigo de periodico
Data-driven stabilization of NimPdn–m nanoalloys: a study using density functional theory and data mining approaches (2024)
Souza, Tiago M.; Pena, Lucas B; Silva, Juarez Lopes Ferreira da ; Galvão, Breno R. L.
Source: Physical Chemistry Chemical Physics - PCCP. Unidade: IQSC
Subjects: FÍSICO-QUÍMICA, MINERAÇÃO DE DADOS, ELETRÓLISE, PALÁDIO, NÍQUEL
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ABNT
SOUZA, Tiago M. et al. Data-driven stabilization of NimPdn–m nanoalloys: a study using density functional theory and data mining approaches. Physical Chemistry Chemical Physics - PCCP, 2024Tradução . . Disponível em: https://doi.org/10.1039/D4CP00672K. Acesso em: 01 out. 2024.
APA
Souza, T. M., Pena, L. B., Silva, J. L. F. da, & Galvão, B. R. L. (2024). Data-driven stabilization of NimPdn–m nanoalloys: a study using density functional theory and data mining approaches. Physical Chemistry Chemical Physics - PCCP. doi:10.1039/D4CP00672K
NLM
Souza TM, Pena LB, Silva JLF da, Galvão BRL. Data-driven stabilization of NimPdn–m nanoalloys: a study using density functional theory and data mining approaches [Internet]. Physical Chemistry Chemical Physics - PCCP. 2024 ;[citado 2024 out. 01 ] Available from: https://doi.org/10.1039/D4CP00672K
Vancouver
Souza TM, Pena LB, Silva JLF da, Galvão BRL. Data-driven stabilization of NimPdn–m nanoalloys: a study using density functional theory and data mining approaches [Internet]. Physical Chemistry Chemical Physics - PCCP. 2024 ;[citado 2024 out. 01 ] Available from: https://doi.org/10.1039/D4CP00672K
Artigo de periodico
Unveiling the impact of organic cation passivation on structural and optoelectronic properties of two-dimensional perovskites thin films (2024)
Ribeiro, Israel C.; Moraes, Pedro Ivo R. ; Bittencourt, Albert F. B ; Silva, Juarez Lopes Ferreira da
Source: Applied Surface Science. Unidade: IQSC
Subjects: FILMES FINOS, MATERIAIS
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ABNT
RIBEIRO, Israel C. et al. Unveiling the impact of organic cation passivation on structural and optoelectronic properties of two-dimensional perovskites thin films. Applied Surface Science, v. 678, p. 161098, 2024Tradução . . Disponível em: https://doi.org/10.1016/j.apsusc.2024.161098. Acesso em: 01 out. 2024.
APA
Ribeiro, I. C., Moraes, P. I. R., Bittencourt, A. F. B., & Silva, J. L. F. da. (2024). Unveiling the impact of organic cation passivation on structural and optoelectronic properties of two-dimensional perovskites thin films. Applied Surface Science, 678, 161098. doi:10.1016/j.apsusc.2024.161098
NLM
Ribeiro IC, Moraes PIR, Bittencourt AFB, Silva JLF da. Unveiling the impact of organic cation passivation on structural and optoelectronic properties of two-dimensional perovskites thin films [Internet]. Applied Surface Science. 2024 ;678 161098.[citado 2024 out. 01 ] Available from: https://doi.org/10.1016/j.apsusc.2024.161098
Vancouver
Ribeiro IC, Moraes PIR, Bittencourt AFB, Silva JLF da. Unveiling the impact of organic cation passivation on structural and optoelectronic properties of two-dimensional perovskites thin films [Internet]. Applied Surface Science. 2024 ;678 161098.[citado 2024 out. 01 ] Available from: https://doi.org/10.1016/j.apsusc.2024.161098
Artigo de periodico
Theoretical investigation of (La4O6)n, (La2Ce2O7)n, and (Ce4O8)n nanoclusters (n = 10, 18): temperature effects and O-vacancy formation (2024)
Mocelim, Maurício ; Santos, Mylena N ; Bittencourt, Albert F. B ; Lourenço, Tuanan da Costa ; Silva, Juarez Lopes Ferreira da
Source: The Journal of Chemical Physics. Unidade: IQSC
Subjects: CATÁLISE, CATALISADORES, PROCESSOS QUÍMICOS, NANOPARTÍCULAS
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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: 01 out. 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 out. 01 ] 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 out. 01 ] Available from: https://doi.org/10.1063/5.0196840
Artigo de periodico
Elucidating the catalytic valorization of ethanol over hydroxyapatite for sustainable butanol production: A first-principles mechanistic study (2024)
Bittencourt, Albert F. B ; Valença, Gustavo P.; Silva, Juarez Lopes Ferreira da
Source: The Journal of Physical Chemistry Part C. Unidade: IQSC
Subjects: ENERGIA, ADSORÇÃO, REAÇÕES QUÍMICAS, ETANOL
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ABNT
BITTENCOURT, Albert F. B e VALENÇA, Gustavo P. e SILVA, Juarez Lopes Ferreira da. Elucidating the catalytic valorization of ethanol over hydroxyapatite for sustainable butanol production: A first-principles mechanistic study. The Journal of Physical Chemistry Part C, 2024Tradução . . Disponível em: https://doi.org/10.1021/acs.jpcc.4c03937. Acesso em: 01 out. 2024.
APA
Bittencourt, A. F. B., Valença, G. P., & Silva, J. L. F. da. (2024). Elucidating the catalytic valorization of ethanol over hydroxyapatite for sustainable butanol production: A first-principles mechanistic study. The Journal of Physical Chemistry Part C. doi:10.1021/acs.jpcc.4c03937
NLM
Bittencourt AFB, Valença GP, Silva JLF da. Elucidating the catalytic valorization of ethanol over hydroxyapatite for sustainable butanol production: A first-principles mechanistic study [Internet]. The Journal of Physical Chemistry Part C. 2024 ;[citado 2024 out. 01 ] Available from: https://doi.org/10.1021/acs.jpcc.4c03937
Vancouver
Bittencourt AFB, Valença GP, Silva JLF da. Elucidating the catalytic valorization of ethanol over hydroxyapatite for sustainable butanol production: A first-principles mechanistic study [Internet]. The Journal of Physical Chemistry Part C. 2024 ;[citado 2024 out. 01 ] Available from: https://doi.org/10.1021/acs.jpcc.4c03937
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
Source: Journal of Chemical Information and Modeling. Unidade: IQSC
Subjects: ENERGIA, QUÍMICA TEÓRICA
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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: 01 out. 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 out. 01 ] 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 out. 01 ] Available from: https://doi.org/10.1021/acs.jcim.3c01895
Artigo de periodico
Elucidating Black α-CsPbI3 Perovskite Stabilization via PPD Bication-Conjugated Molecule Surface Passivation: Ab Initio Simulations (2024)
González, José Eduardo; Danelon, João G.; Silva, Juarez Lopes Ferreira da ; Lima, Matheus P.
Source: ACS Applied Materials and Interfaces. Unidade: IQSC
Subjects: ESTABILIDADE, CÉLULAS SOLARES
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ABNT
GONZÁLEZ, José Eduardo et al. Elucidating Black α-CsPbI3 Perovskite Stabilization via PPD Bication-Conjugated Molecule Surface Passivation: Ab Initio Simulations. ACS Applied Materials and Interfaces, 2024Tradução . . Disponível em: https://doi.org/10.1021/acsami.4c05092. Acesso em: 01 out. 2024.
APA
González, J. E., Danelon, J. G., Silva, J. L. F. da, & Lima, M. P. (2024). Elucidating Black α-CsPbI3 Perovskite Stabilization via PPD Bication-Conjugated Molecule Surface Passivation: Ab Initio Simulations. ACS Applied Materials and Interfaces. doi:10.1021/acsami.4c05092
NLM
González JE, Danelon JG, Silva JLF da, Lima MP. Elucidating Black α-CsPbI3 Perovskite Stabilization via PPD Bication-Conjugated Molecule Surface Passivation: Ab Initio Simulations [Internet]. ACS Applied Materials and Interfaces. 2024 ;[citado 2024 out. 01 ] Available from: https://doi.org/10.1021/acsami.4c05092
Vancouver
González JE, Danelon JG, Silva JLF da, Lima MP. Elucidating Black α-CsPbI3 Perovskite Stabilization via PPD Bication-Conjugated Molecule Surface Passivation: Ab Initio Simulations [Internet]. ACS Applied Materials and Interfaces. 2024 ;[citado 2024 out. 01 ] Available from: https://doi.org/10.1021/acsami.4c05092
Artigo de periodico
Experimental and first-principles investigation on how support morphology determines the performance of the Ziegler-Natta catalyst during ethylene polymerization (2024)
Saelee, Tinnakorn; Sitthijun, Pichayapong; Ngamlaor, Chinanang; Kerdprasit, Nuttapat; Rittiruam, Meena; Khajondetchairit, Patcharaporn; Silva, Juarez Lopes Ferreira da ; Buasuk, Nichakorn; Praserthdam, Piyasan; Praserthdam, Supareak
Source: Scientific Reports. Unidade: IQSC
Subjects: CATALISADORES, POLIMERIZAÇÃO
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ABNT
SAELEE, Tinnakorn et al. Experimental and first-principles investigation on how support morphology determines the performance of the Ziegler-Natta catalyst during ethylene polymerization. Scientific Reports, v. 14, p. 17835, 2024Tradução . . Disponível em: https://doi.org/10.1038/s41598-024-68289-8. Acesso em: 01 out. 2024.
APA
Saelee, T., Sitthijun, P., Ngamlaor, C., Kerdprasit, N., Rittiruam, M., Khajondetchairit, P., et al. (2024). Experimental and first-principles investigation on how support morphology determines the performance of the Ziegler-Natta catalyst during ethylene polymerization. Scientific Reports, 14, 17835. doi:10.1038/s41598-024-68289-8
NLM
Saelee T, Sitthijun P, Ngamlaor C, Kerdprasit N, Rittiruam M, Khajondetchairit P, Silva JLF da, Buasuk N, Praserthdam P, Praserthdam S. Experimental and first-principles investigation on how support morphology determines the performance of the Ziegler-Natta catalyst during ethylene polymerization [Internet]. Scientific Reports. 2024 ;14 17835.[citado 2024 out. 01 ] Available from: https://doi.org/10.1038/s41598-024-68289-8
Vancouver
Saelee T, Sitthijun P, Ngamlaor C, Kerdprasit N, Rittiruam M, Khajondetchairit P, Silva JLF da, Buasuk N, Praserthdam P, Praserthdam S. Experimental and first-principles investigation on how support morphology determines the performance of the Ziegler-Natta catalyst during ethylene polymerization [Internet]. Scientific Reports. 2024 ;14 17835.[citado 2024 out. 01 ] Available from: https://doi.org/10.1038/s41598-024-68289-8
Trabalho de evento-resumo
Meaningful learning: Phyton language applied to function visualization (2024)
Mocelim, Maurício ; Silva, Juarez Lopes Ferreira da
Source: Resumos. Conference titles: Workshop do Programa de Aperfeiçoamento de Ensino (PAE). Unidade: IQSC
Subjects: MATEMÁTICA, PYTHON, ESTÁGIOS SUPERVISIONADOS
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ABNT
MOCELIM, Maurício e SILVA, Juarez Lopes Ferreira da. Meaningful learning: Phyton language applied to function visualization. 2024, Anais.. São Carlos: Instituto de Química de São Carlos, Universidade de São Paulo, 2024. Disponível em: https://repositorio.usp.br/directbitstream/96647c31-53c4-4b2a-b48c-f2381764d2e7/P21276.pdf. Acesso em: 01 out. 2024.
APA
Mocelim, M., & Silva, J. L. F. da. (2024). Meaningful learning: Phyton language applied to function visualization. In Resumos. São Carlos: Instituto de Química de São Carlos, Universidade de São Paulo. Recuperado de https://repositorio.usp.br/directbitstream/96647c31-53c4-4b2a-b48c-f2381764d2e7/P21276.pdf
NLM
Mocelim M, Silva JLF da. Meaningful learning: Phyton language applied to function visualization [Internet]. Resumos. 2024 ;[citado 2024 out. 01 ] Available from: https://repositorio.usp.br/directbitstream/96647c31-53c4-4b2a-b48c-f2381764d2e7/P21276.pdf
Vancouver
Mocelim M, Silva JLF da. Meaningful learning: Phyton language applied to function visualization [Internet]. Resumos. 2024 ;[citado 2024 out. 01 ] Available from: https://repositorio.usp.br/directbitstream/96647c31-53c4-4b2a-b48c-f2381764d2e7/P21276.pdf
Artigo de periodico
Direct Evidence of Reversible Changes in Electrolyte and its Interplay with LiO2 Intermediate in Li-O2 Batteries (2024)
Sousa, Bianca P.; Lourenço, Tuanan da Costa ; Anchieta, Chayene G ; Nepel, Thayane C. M.; M. Filho, Rubens; Silva, Juarez Lopes Ferreira da ; Doubek, Gustavo
Source: Small. Unidade: IQSC
Subjects: ELETRÓLITOS, BATERIAS ELÉTRICAS
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ABNT
SOUSA, Bianca P. et al. Direct Evidence of Reversible Changes in Electrolyte and its Interplay with LiO2 Intermediate in Li-O2 Batteries. Small, p. 2306895, 2024Tradução . . Disponível em: https://doi.org/10.1002/smll.202306895. Acesso em: 01 out. 2024.
APA
Sousa, B. P., Lourenço, T. da C., Anchieta, C. G., Nepel, T. C. M., M. Filho, R., Silva, J. L. F. da, & Doubek, G. (2024). Direct Evidence of Reversible Changes in Electrolyte and its Interplay with LiO2 Intermediate in Li-O2 Batteries. Small, 2306895. doi:10.1002/smll.202306895
NLM
Sousa BP, Lourenço T da C, Anchieta CG, Nepel TCM, M. Filho R, Silva JLF da, Doubek G. Direct Evidence of Reversible Changes in Electrolyte and its Interplay with LiO2 Intermediate in Li-O2 Batteries [Internet]. Small. 2024 ;2306895.[citado 2024 out. 01 ] Available from: https://doi.org/10.1002/smll.202306895
Vancouver
Sousa BP, Lourenço T da C, Anchieta CG, Nepel TCM, M. Filho R, Silva JLF da, Doubek G. Direct Evidence of Reversible Changes in Electrolyte and its Interplay with LiO2 Intermediate in Li-O2 Batteries [Internet]. Small. 2024 ;2306895.[citado 2024 out. 01 ] Available from: https://doi.org/10.1002/smll.202306895
Artigo de periodico
Tuning Excitonic Properties of Monochalcogenides via Design of Janus Structures (2024)
Querne, Mateus B. P.; Dias, Alexandre C.; Janotti, Anderson; Silva, Juarez Lopes Ferreira da ; Lima, Matheus P.
Source: The Journal of Physical Chemistry Part C. Unidade: IQSC
Subjects: ESTRUTURA QUÍMICA, CONDUTIVIDADE ELÉTRICA, MATERIAIS
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ABNT
QUERNE, Mateus B. P. et al. Tuning Excitonic Properties of Monochalcogenides via Design of Janus Structures. The Journal of Physical Chemistry Part C, 2024Tradução . . Disponível em: https://doi.org/10.1021/acs.jpcc.4c01813. Acesso em: 01 out. 2024.
APA
Querne, M. B. P., Dias, A. C., Janotti, A., Silva, J. L. F. da, & Lima, M. P. (2024). Tuning Excitonic Properties of Monochalcogenides via Design of Janus Structures. The Journal of Physical Chemistry Part C. doi:10.1021/acs.jpcc.4c01813
NLM
Querne MBP, Dias AC, Janotti A, Silva JLF da, Lima MP. Tuning Excitonic Properties of Monochalcogenides via Design of Janus Structures [Internet]. The Journal of Physical Chemistry Part C. 2024 ;[citado 2024 out. 01 ] Available from: https://doi.org/10.1021/acs.jpcc.4c01813
Vancouver
Querne MBP, Dias AC, Janotti A, Silva JLF da, Lima MP. Tuning Excitonic Properties of Monochalcogenides via Design of Janus Structures [Internet]. The Journal of Physical Chemistry Part C. 2024 ;[citado 2024 out. 01 ] Available from: https://doi.org/10.1021/acs.jpcc.4c01813
Artigo de jornal-dep/entr
Como a inteligência artificial ajuda pesquisadores do IQSC em estudos da área de Química [Depoimento a Matheus Martins Fontes e Henrique Fontes] (2024)
Borges, Julio Cesar ; Leitão, Andrei ; Silva, Juarez Lopes Ferreira da ; Vargas, Douglas William Duarte de
Source: Portal USP São Carlos. Unidade: IQSC
Subjects: INTELIGÊNCIA ARTIFICIAL, QUÍMICA, PESQUISA CIENTÍFICA
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ABNT
BORGES, Julio Cesar et al. Como a inteligência artificial ajuda pesquisadores do IQSC em estudos da área de Química [Depoimento a Matheus Martins Fontes e Henrique Fontes]. Portal USP São Carlos. São Carlos: Instituto de Química de São Carlos, Universidade de São Paulo. Disponível em: https://repositorio.usp.br/directbitstream/5ab606ba-6190-4aaa-a2de-23ce5016fa93/P21195.pdf. Acesso em: 01 out. 2024. , 2024
APA
Borges, J. C., Leitão, A., Silva, J. L. F. da, & Vargas, D. W. D. de. (2024). Como a inteligência artificial ajuda pesquisadores do IQSC em estudos da área de Química [Depoimento a Matheus Martins Fontes e Henrique Fontes]. Portal USP São Carlos. São Carlos: Instituto de Química de São Carlos, Universidade de São Paulo. Recuperado de https://repositorio.usp.br/directbitstream/5ab606ba-6190-4aaa-a2de-23ce5016fa93/P21195.pdf
NLM
Borges JC, Leitão A, Silva JLF da, Vargas DWD de. Como a inteligência artificial ajuda pesquisadores do IQSC em estudos da área de Química [Depoimento a Matheus Martins Fontes e Henrique Fontes] [Internet]. Portal USP São Carlos. 2024 ;[citado 2024 out. 01 ] Available from: https://repositorio.usp.br/directbitstream/5ab606ba-6190-4aaa-a2de-23ce5016fa93/P21195.pdf
Vancouver
Borges JC, Leitão A, Silva JLF da, Vargas DWD de. Como a inteligência artificial ajuda pesquisadores do IQSC em estudos da área de Química [Depoimento a Matheus Martins Fontes e Henrique Fontes] [Internet]. Portal USP São Carlos. 2024 ;[citado 2024 out. 01 ] Available from: https://repositorio.usp.br/directbitstream/5ab606ba-6190-4aaa-a2de-23ce5016fa93/P21195.pdf
Artigo de periodico
On the Na+ transport and electrochemical stability window in NaTFSI: NMA deep eutectic solvent (2024)
Fiates, Juliane ; Bittencourt, Albert F. B ; Lourenço, Tuanan da Costa ; Dias, Luis G; Silva, Juarez Lopes Ferreira da
Source: Journal of Molecular Liquids. Unidades: FFCLRP, IQSC
Subjects: SOLVENTE, ELETROQUÍMICA
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ABNT
FIATES, Juliane et al. On the Na+ transport and electrochemical stability window in NaTFSI: NMA deep eutectic solvent. Journal of Molecular Liquids, v. 395, p. 123930, 2024Tradução . . Disponível em: https://doi.org/10.1016/j.molliq.2023.123930. Acesso em: 01 out. 2024.
APA
Fiates, J., Bittencourt, A. F. B., Lourenço, T. da C., Dias, L. G., & Silva, J. L. F. da. (2024). On the Na+ transport and electrochemical stability window in NaTFSI: NMA deep eutectic solvent. Journal of Molecular Liquids, 395, 123930. doi:10.1016/j.molliq.2023.123930
NLM
Fiates J, Bittencourt AFB, Lourenço T da C, Dias LG, Silva JLF da. On the Na+ transport and electrochemical stability window in NaTFSI: NMA deep eutectic solvent [Internet]. Journal of Molecular Liquids. 2024 ;395 123930.[citado 2024 out. 01 ] Available from: https://doi.org/10.1016/j.molliq.2023.123930
Vancouver
Fiates J, Bittencourt AFB, Lourenço T da C, Dias LG, Silva JLF da. On the Na+ transport and electrochemical stability window in NaTFSI: NMA deep eutectic solvent [Internet]. Journal of Molecular Liquids. 2024 ;395 123930.[citado 2024 out. 01 ] Available from: https://doi.org/10.1016/j.molliq.2023.123930
Artigo de periodico
Computational screening of silver-based single-atom alloys catalysts for CO2 reduction (2024)
B. Neto, Marionir M. C.; Verga, Lucas Garcia ; Silva, Juarez Lopes Ferreira da ; Galvão, Breno R. L.
Source: The Journal of Chemical Physics. Unidade: IQSC
Subjects: CATALISADORES, PRATA
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: 01 out. 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 out. 01 ] 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 out. 01 ] 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
Source: Journal of Chemical Information and Modeling. Unidade: IQSC
Subjects: 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: 01 out. 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 out. 01 ] 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 out. 01 ] Available from: https://doi.org/10.1021/acs.jcim.3c02014
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
Source: The Journal of Chemical Physics. Unidade: IQSC
Subjects: CÉRIO, LANTÂNIO, METANO
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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: 01 out. 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 out. 01 ] 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 out. 01 ] Available from: https://doi.org/10.1063/5.0198986
Parte de monografia/livro
Guided clustering for selecting representatives samples in chemical databases (2023)
Calderan, Felipe V ; Mendonça, João Paulo A. de ; Silva, Juarez Lopes Ferreira da ; Quiles, Marcos Gonçalves
Source: Computational Science and Its Applications. ICCSA 2023. Lecture Notes in Computer Science. Unidade: IQSC
Subjects: CIÊNCIA DA COMPUTAÇÃO, QUÍMICA, MATERIAIS
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ABNT
CALDERAN, Felipe V et al. Guided clustering for selecting representatives samples in chemical databases. Computational Science and Its Applications. ICCSA 2023. Lecture Notes in Computer Science. Tradução . Cham: Instituto de Química de São Carlos, Universidade de São Paulo, 2023. . Disponível em: https://doi.org/10.1007/978-3-031-37126-4_10. Acesso em: 01 out. 2024.
APA
Calderan, F. V., Mendonça, J. P. A. de, Silva, J. L. F. da, & Quiles, M. G. (2023). Guided clustering for selecting representatives samples in chemical databases. In Computational Science and Its Applications. ICCSA 2023. Lecture Notes in Computer Science. Cham: Instituto de Química de São Carlos, Universidade de São Paulo. doi:10.1007/978-3-031-37126-4_10
NLM
Calderan FV, Mendonça JPA de, Silva JLF da, Quiles MG. Guided clustering for selecting representatives samples in chemical databases [Internet]. In: Computational Science and Its Applications. ICCSA 2023. Lecture Notes in Computer Science. Cham: Instituto de Química de São Carlos, Universidade de São Paulo; 2023. [citado 2024 out. 01 ] Available from: https://doi.org/10.1007/978-3-031-37126-4_10
Vancouver
Calderan FV, Mendonça JPA de, Silva JLF da, Quiles MG. Guided clustering for selecting representatives samples in chemical databases [Internet]. In: Computational Science and Its Applications. ICCSA 2023. Lecture Notes in Computer Science. Cham: Instituto de Química de São Carlos, Universidade de São Paulo; 2023. [citado 2024 out. 01 ] Available from: https://doi.org/10.1007/978-3-031-37126-4_10
Trabalho de evento-resumo
Theoretical Screening of Two Dimensional MQx Chalcogenides (M = Cu, Ag; Q = S, Se, Te, and x = 0.5, 1.0, 1.5, 2.0) via Density Functional Theory (2023)
Inui, Guilherme K. ; Besse, Rafael ; Silva, Juarez Lopes Ferreira da
Source: Anais. Conference titles: Reunião Anual da Sociedade Brasileira de Química - RASBQ. Unidade: IQSC
Subjects: ENERGIA SOLAR, SEMICONDUTORES
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
INUI, Guilherme K. e BESSE, Rafael e SILVA, Juarez Lopes Ferreira da. Theoretical Screening of Two Dimensional MQx Chalcogenides (M = Cu, Ag; Q = S, Se, Te, and x = 0.5, 1.0, 1.5, 2.0) via Density Functional Theory. 2023, Anais.. São Paulo: Instituto de Química de São Carlos, Universidade de São Paulo, 2023. Disponível em: https://www.eventweb.com.br/46rasbq/specific-files/manuscripts/46rasbq/134_1675250784.pdf. Acesso em: 01 out. 2024.
APA
Inui, G. K., Besse, R., & Silva, J. L. F. da. (2023). Theoretical Screening of Two Dimensional MQx Chalcogenides (M = Cu, Ag; Q = S, Se, Te, and x = 0.5, 1.0, 1.5, 2.0) via Density Functional Theory. In Anais. São Paulo: Instituto de Química de São Carlos, Universidade de São Paulo. Recuperado de https://www.eventweb.com.br/46rasbq/specific-files/manuscripts/46rasbq/134_1675250784.pdf
NLM
Inui GK, Besse R, Silva JLF da. Theoretical Screening of Two Dimensional MQx Chalcogenides (M = Cu, Ag; Q = S, Se, Te, and x = 0.5, 1.0, 1.5, 2.0) via Density Functional Theory [Internet]. Anais. 2023 ;[citado 2024 out. 01 ] Available from: https://www.eventweb.com.br/46rasbq/specific-files/manuscripts/46rasbq/134_1675250784.pdf
Vancouver
Inui GK, Besse R, Silva JLF da. Theoretical Screening of Two Dimensional MQx Chalcogenides (M = Cu, Ag; Q = S, Se, Te, and x = 0.5, 1.0, 1.5, 2.0) via Density Functional Theory [Internet]. Anais. 2023 ;[citado 2024 out. 01 ] Available from: https://www.eventweb.com.br/46rasbq/specific-files/manuscripts/46rasbq/134_1675250784.pdf

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