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Artigo de periodico
Atomic-scale insights in the interplay of chemical composition and chirality in two-dimensional chiral perovskites (2024)
Inui, Guilherme K. ; Besse, Rafael ; González, José Eduardo; Silva, Juarez Lopes Ferreira da
Source: Physical Chemistry Chemical Physics. Unidade: IQSC
Subjects: MINERAIS, QUÍMICA INORGÂNICA
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ABNT
INUI, Guilherme K. et al. Atomic-scale insights in the interplay of chemical composition and chirality in two-dimensional chiral perovskites. Physical Chemistry Chemical Physics, v. 26, p. 16719–16731, 2024Tradução . . Disponível em: https://doi.org/10.1039/ d4cp00924j. Acesso em: 08 out. 2025.
APA
Inui, G. K., Besse, R., González, J. E., & Silva, J. L. F. da. (2024). Atomic-scale insights in the interplay of chemical composition and chirality in two-dimensional chiral perovskites. Physical Chemistry Chemical Physics, 26, 16719–16731. doi:10.1039/ d4cp00924j
NLM
Inui GK, Besse R, González JE, Silva JLF da. Atomic-scale insights in the interplay of chemical composition and chirality in two-dimensional chiral perovskites [Internet]. Physical Chemistry Chemical Physics. 2024 ;26 16719–16731.[citado 2025 out. 08 ] Available from: https://doi.org/10.1039/ d4cp00924j
Vancouver
Inui GK, Besse R, González JE, Silva JLF da. Atomic-scale insights in the interplay of chemical composition and chirality in two-dimensional chiral perovskites [Internet]. Physical Chemistry Chemical Physics. 2024 ;26 16719–16731.[citado 2025 out. 08 ] Available from: https://doi.org/10.1039/ d4cp00924j
Artigo de periodico
Contrasting the stability, octahedral distortions, and optoelectronic properties of 3D MABX3 and 2D (BA)2(MA)B2X7 (B = Ge, Sn, Pb; X = Cl, Br, I) perovskites (2024)
Danelon, João G ; Santos, Ramiro M. dos ; Dias, Alexandre Cavalheiro ; Silva, Juarez Lopes Ferreira da ; Lima, Matheus P
Source: Physical Chemistry Chemical Physics. Unidade: IQSC
Subjects: FÍSICA, MATERIAIS, MINERAIS
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ABNT
DANELON, João G et al. Contrasting the stability, octahedral distortions, and optoelectronic properties of 3D MABX3 and 2D (BA)2(MA)B2X7 (B = Ge, Sn, Pb; X = Cl, Br, I) perovskites. Physical Chemistry Chemical Physics, v. 26, p. 469-8487, 2024Tradução . . Disponível em: https://doi.org/10.1039/D3CP04361D. Acesso em: 08 out. 2025.
APA
Danelon, J. G., Santos, R. M. dos, Dias, A. C., Silva, J. L. F. da, & Lima, M. P. (2024). Contrasting the stability, octahedral distortions, and optoelectronic properties of 3D MABX3 and 2D (BA)2(MA)B2X7 (B = Ge, Sn, Pb; X = Cl, Br, I) perovskites. Physical Chemistry Chemical Physics, 26, 469-8487. doi:10.1039/D3CP04361D
NLM
Danelon JG, Santos RM dos, Dias AC, Silva JLF da, Lima MP. Contrasting the stability, octahedral distortions, and optoelectronic properties of 3D MABX3 and 2D (BA)2(MA)B2X7 (B = Ge, Sn, Pb; X = Cl, Br, I) perovskites [Internet]. Physical Chemistry Chemical Physics. 2024 ; 26 469-8487.[citado 2025 out. 08 ] Available from: https://doi.org/10.1039/D3CP04361D
Vancouver
Danelon JG, Santos RM dos, Dias AC, Silva JLF da, Lima MP. Contrasting the stability, octahedral distortions, and optoelectronic properties of 3D MABX3 and 2D (BA)2(MA)B2X7 (B = Ge, Sn, Pb; X = Cl, Br, I) perovskites [Internet]. Physical Chemistry Chemical Physics. 2024 ; 26 469-8487.[citado 2025 out. 08 ] Available from: https://doi.org/10.1039/D3CP04361D
Artigo de periodico
Theoretical study of the structural and energetic properties of Ce1xZrxO2 nanoparticles via molecular dynamics simulations (2024)
Santos, Mylena N ; Lourenço, Tuanan da Costa ; Mocelim, Maurício ; Silva, Juarez Lopes Ferreira da
Source: Physical Chemistry Chemical Physics. Unidade: IQSC
Subjects: NANOPARTÍCULAS, METAIS
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ABNT
SANTOS, Mylena N et al. Theoretical study of the structural and energetic properties of Ce1xZrxO2 nanoparticles via molecular dynamics simulations. Physical Chemistry Chemical Physics, v. 26 p.17838–17853 2024, 2024Tradução . . Disponível em: https://doi.org/10.1039/d4cp01137f. Acesso em: 08 out. 2025.
APA
Santos, M. N., Lourenço, T. da C., Mocelim, M., & Silva, J. L. F. da. (2024). Theoretical study of the structural and energetic properties of Ce1xZrxO2 nanoparticles via molecular dynamics simulations. Physical Chemistry Chemical Physics, 26 p.17838–17853 2024. doi:10.1039/d4cp01137f
NLM
Santos MN, Lourenço T da C, Mocelim M, Silva JLF da. Theoretical study of the structural and energetic properties of Ce1xZrxO2 nanoparticles via molecular dynamics simulations [Internet]. Physical Chemistry Chemical Physics. 2024 ;26 p.17838–17853 2024[citado 2025 out. 08 ] Available from: https://doi.org/10.1039/d4cp01137f
Vancouver
Santos MN, Lourenço T da C, Mocelim M, Silva JLF da. Theoretical study of the structural and energetic properties of Ce1xZrxO2 nanoparticles via molecular dynamics simulations [Internet]. Physical Chemistry Chemical Physics. 2024 ;26 p.17838–17853 2024[citado 2025 out. 08 ] Available from: https://doi.org/10.1039/d4cp01137f
Artigo de periodico
Ab initio study for late steps of CO2 and CO electroreduction: from CHCO* toward C2 products on Cu and CuZn nanoclusters (2023)
Restrepo, Vivianne Karina Ocampo ; Verga, Lucas Garcia ; Silva, Juarez L. F. Da
Source: Physical Chemistry Chemical Physics. Unidade: IQSC
Subjects: ENERGIA, ELETRODO, ETANOL, DIÓXIDO DE CARBONO, COBRE
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ABNT
RESTREPO, Vivianne Karina Ocampo e VERGA, Lucas Garcia e SILVA, Juarez L. F. Da. Ab initio study for late steps of CO2 and CO electroreduction: from CHCO* toward C2 products on Cu and CuZn nanoclusters. Physical Chemistry Chemical Physics, v. 25, n. 48, p. 32931-32938, 2023Tradução . . Disponível em: https://doi.org/10.1039/D3CP03315E. Acesso em: 08 out. 2025.
APA
Restrepo, V. K. O., Verga, L. G., & Silva, J. L. F. D. (2023). Ab initio study for late steps of CO2 and CO electroreduction: from CHCO* toward C2 products on Cu and CuZn nanoclusters. Physical Chemistry Chemical Physics, 25( 48), 32931-32938. doi:10.1039/D3CP03315E
NLM
Restrepo VKO, Verga LG, Silva JLFD. Ab initio study for late steps of CO2 and CO electroreduction: from CHCO* toward C2 products on Cu and CuZn nanoclusters [Internet]. Physical Chemistry Chemical Physics. 2023 ; 25( 48): 32931-32938.[citado 2025 out. 08 ] Available from: https://doi.org/10.1039/D3CP03315E
Vancouver
Restrepo VKO, Verga LG, Silva JLFD. Ab initio study for late steps of CO2 and CO electroreduction: from CHCO* toward C2 products on Cu and CuZn nanoclusters [Internet]. Physical Chemistry Chemical Physics. 2023 ; 25( 48): 32931-32938.[citado 2025 out. 08 ] Available from: https://doi.org/10.1039/D3CP03315E
Artigo de periodico
The oscillatory electro-oxidation of 2-propanol on platinum: the effect of temperature and addition of methanol (2023)
Ragassi, Gianluca; Dourado, André Henrique Baraldi ; Varela, Hamilton
Source: Physical Chemistry Chemical Physics. Unidades: RUSP, IQSC
Subjects: PLATINA, METANOL
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ABNT
RAGASSI, Gianluca e DOURADO, André Henrique Baraldi e VARELA, Hamilton. The oscillatory electro-oxidation of 2-propanol on platinum: the effect of temperature and addition of methanol. Physical Chemistry Chemical Physics, v. 25, p. 32345–32355, 2023Tradução . . Disponível em: https://doi.org/10.1039/d3cp03995a. Acesso em: 08 out. 2025.
APA
Ragassi, G., Dourado, A. H. B., & Varela, H. (2023). The oscillatory electro-oxidation of 2-propanol on platinum: the effect of temperature and addition of methanol. Physical Chemistry Chemical Physics, 25, 32345–32355. doi:10.1039/d3cp03995a
NLM
Ragassi G, Dourado AHB, Varela H. The oscillatory electro-oxidation of 2-propanol on platinum: the effect of temperature and addition of methanol [Internet]. Physical Chemistry Chemical Physics. 2023 ;25 32345–32355.[citado 2025 out. 08 ] Available from: https://doi.org/10.1039/d3cp03995a
Vancouver
Ragassi G, Dourado AHB, Varela H. The oscillatory electro-oxidation of 2-propanol on platinum: the effect of temperature and addition of methanol [Internet]. Physical Chemistry Chemical Physics. 2023 ;25 32345–32355.[citado 2025 out. 08 ] Available from: https://doi.org/10.1039/d3cp03995a
Artigo de periodico
The role of single-atom Rh-dopants in the adsorption properties of OH and CO on stepped Ag(211) surfaces (2023)
B. Neto, Marionir M. C.; Verga, Lucas Garcia ; Silva, Juarez Lopes Ferreira da ; Galvão, Breno R. L.
Source: Physical Chemistry Chemical Physics. Unidade: IQSC
Subjects: CATALISADORES, PRATA
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ABNT
B. NETO, Marionir M. C. et al. The role of single-atom Rh-dopants in the adsorption properties of OH and CO on stepped Ag(211) surfaces. Physical Chemistry Chemical Physics, v. 25, p. 4939–4949, 2023Tradução . . Disponível em: https://doi.org/10.1039/d2cp04376a. Acesso em: 08 out. 2025.
APA
B. Neto, M. M. C., Verga, L. G., Silva, J. L. F. da, & Galvão, B. R. L. (2023). The role of single-atom Rh-dopants in the adsorption properties of OH and CO on stepped Ag(211) surfaces. Physical Chemistry Chemical Physics, 25, 4939–4949. doi:10.1039/d2cp04376a
NLM
B. Neto MMC, Verga LG, Silva JLF da, Galvão BRL. The role of single-atom Rh-dopants in the adsorption properties of OH and CO on stepped Ag(211) surfaces [Internet]. Physical Chemistry Chemical Physics. 2023 ;25 4939–4949.[citado 2025 out. 08 ] Available from: https://doi.org/10.1039/d2cp04376a
Vancouver
B. Neto MMC, Verga LG, Silva JLF da, Galvão BRL. The role of single-atom Rh-dopants in the adsorption properties of OH and CO on stepped Ag(211) surfaces [Internet]. Physical Chemistry Chemical Physics. 2023 ;25 4939–4949.[citado 2025 out. 08 ] Available from: https://doi.org/10.1039/d2cp04376a
Artigo de periodico
Successive protonation of Lindqvist hexaniobate, [Nb6O19] 8: electronic properties and structural distortions (2022)
Steffler, Fernando ; Haiduke, Roberto Luiz Andrade
Source: Physical Chemistry Chemical Physics. Unidade: IQSC
Subjects: FÍSICO-QUÍMICA, QUÍMICA INORGÂNICA
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ABNT
STEFFLER, Fernando e HAIDUKE, Roberto Luiz Andrade. Successive protonation of Lindqvist hexaniobate, [Nb6O19] 8: electronic properties and structural distortions. Physical Chemistry Chemical Physics, v. 24, p. 13083-13093, 2022Tradução . . Disponível em: https://doi.org/10.1039/d2cp00607c. Acesso em: 08 out. 2025.
APA
Steffler, F., & Haiduke, R. L. A. (2022). Successive protonation of Lindqvist hexaniobate, [Nb6O19] 8: electronic properties and structural distortions. Physical Chemistry Chemical Physics, 24, 13083-13093. doi:10.1039/d2cp00607c
NLM
Steffler F, Haiduke RLA. Successive protonation of Lindqvist hexaniobate, [Nb6O19] 8: electronic properties and structural distortions [Internet]. Physical Chemistry Chemical Physics. 2022 ; 24 13083-13093.[citado 2025 out. 08 ] Available from: https://doi.org/10.1039/d2cp00607c
Vancouver
Steffler F, Haiduke RLA. Successive protonation of Lindqvist hexaniobate, [Nb6O19] 8: electronic properties and structural distortions [Internet]. Physical Chemistry Chemical Physics. 2022 ; 24 13083-13093.[citado 2025 out. 08 ] Available from: https://doi.org/10.1039/d2cp00607c
Artigo de periodico
One-step preparation of Co2V2O7: synthesis and application as Fenton-like catalyst in gas diffusion electrode (2022)
Gromboni, Murilo Fernando ; Cordeiro Junior, Paulo Jorge Marques ; Corradini, Patricia Gon ; Mascaro, Lúcia Helena ; Lanza, Marcos Roberto de Vasconcelos
Source: Physical Chemistry Chemical Physics. Unidade: IQSC
Subjects: ELETROQUÍMICA, QUÍMICA AMBIENTAL, POLUIÇÃO AMBIENTAL
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ABNT
GROMBONI, Murilo Fernando et al. One-step preparation of Co2V2O7: synthesis and application as Fenton-like catalyst in gas diffusion electrode. Physical Chemistry Chemical Physics, v. 24, p. 10249, 2022Tradução . . Disponível em: https://doi.org/10.1039/D2CP00072E. Acesso em: 08 out. 2025.
APA
Gromboni, M. F., Cordeiro Junior, P. J. M., Corradini, P. G., Mascaro, L. H., & Lanza, M. R. de V. (2022). One-step preparation of Co2V2O7: synthesis and application as Fenton-like catalyst in gas diffusion electrode. Physical Chemistry Chemical Physics, 24, 10249. doi:10.1039/D2CP00072E
NLM
Gromboni MF, Cordeiro Junior PJM, Corradini PG, Mascaro LH, Lanza MR de V. One-step preparation of Co2V2O7: synthesis and application as Fenton-like catalyst in gas diffusion electrode [Internet]. Physical Chemistry Chemical Physics. 2022 ; 24 10249.[citado 2025 out. 08 ] Available from: https://doi.org/10.1039/D2CP00072E
Vancouver
Gromboni MF, Cordeiro Junior PJM, Corradini PG, Mascaro LH, Lanza MR de V. One-step preparation of Co2V2O7: synthesis and application as Fenton-like catalyst in gas diffusion electrode [Internet]. Physical Chemistry Chemical Physics. 2022 ; 24 10249.[citado 2025 out. 08 ] Available from: https://doi.org/10.1039/D2CP00072E
Artigo de periodico
Computational investigation of van der Waals corrections in the adsorption properties of molecules on the Cu(111) surface (2022)
Bartaquim, Eduardo O; Bezerra, Raquel C; Bittencourt, Albert F. B ; Silva, Juarez Lopes Ferreira da
Source: Physical Chemistry Chemical Physics. Unidade: IQSC
Subjects: ADSORÇÃO, MOLÉCULA, COMPUTAÇÃO APLICADA
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ABNT
BARTAQUIM, Eduardo O et al. Computational investigation of van der Waals corrections in the adsorption properties of molecules on the Cu(111) surface. Physical Chemistry Chemical Physics, v. 24, p. 20294, 2022Tradução . . Disponível em: https://doi.org/10.1039/d2cp02663e. Acesso em: 08 out. 2025.
APA
Bartaquim, E. O., Bezerra, R. C., Bittencourt, A. F. B., & Silva, J. L. F. da. (2022). Computational investigation of van der Waals corrections in the adsorption properties of molecules on the Cu(111) surface. Physical Chemistry Chemical Physics, 24, 20294. doi:10.1039/d2cp02663e
NLM
Bartaquim EO, Bezerra RC, Bittencourt AFB, Silva JLF da. Computational investigation of van der Waals corrections in the adsorption properties of molecules on the Cu(111) surface [Internet]. Physical Chemistry Chemical Physics. 2022 ; 24 20294.[citado 2025 out. 08 ] Available from: https://doi.org/10.1039/d2cp02663e
Vancouver
Bartaquim EO, Bezerra RC, Bittencourt AFB, Silva JLF da. Computational investigation of van der Waals corrections in the adsorption properties of molecules on the Cu(111) surface [Internet]. Physical Chemistry Chemical Physics. 2022 ; 24 20294.[citado 2025 out. 08 ] Available from: https://doi.org/10.1039/d2cp02663e
Artigo de periodico
Ab initio investigation of the role of the d-states occupation on the adsorption properties of H2, CO, CH4 and CH3OH on the Fe13, Co13, Ni13 and Cu13 clusters (2021)
Sousa, Priscilla Felício; Andriani, Karla Furtado ; Silva, Juarez Lopes Ferreira da
Source: Physical Chemistry Chemical Physics. Unidade: IQSC
Subjects: ADSORÇÃO, QUÍMICA TEÓRICA
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ABNT
SOUSA, Priscilla Felício e ANDRIANI, Karla Furtado e SILVA, Juarez Lopes Ferreira da. Ab initio investigation of the role of the d-states occupation on the adsorption properties of H2, CO, CH4 and CH3OH on the Fe13, Co13, Ni13 and Cu13 clusters. Physical Chemistry Chemical Physics, v. 23, p. 8739–8751, 2021Tradução . . Disponível em: https://doi.org/10.1039/D0CP06091G. Acesso em: 08 out. 2025.
APA
Sousa, P. F., Andriani, K. F., & Silva, J. L. F. da. (2021). Ab initio investigation of the role of the d-states occupation on the adsorption properties of H2, CO, CH4 and CH3OH on the Fe13, Co13, Ni13 and Cu13 clusters. Physical Chemistry Chemical Physics, 23, 8739–8751. doi:10.1039/D0CP06091G
NLM
Sousa PF, Andriani KF, Silva JLF da. Ab initio investigation of the role of the d-states occupation on the adsorption properties of H2, CO, CH4 and CH3OH on the Fe13, Co13, Ni13 and Cu13 clusters [Internet]. Physical Chemistry Chemical Physics. 2021 ; 23 8739–8751.[citado 2025 out. 08 ] Available from: https://doi.org/10.1039/D0CP06091G
Vancouver
Sousa PF, Andriani KF, Silva JLF da. Ab initio investigation of the role of the d-states occupation on the adsorption properties of H2, CO, CH4 and CH3OH on the Fe13, Co13, Ni13 and Cu13 clusters [Internet]. Physical Chemistry Chemical Physics. 2021 ; 23 8739–8751.[citado 2025 out. 08 ] Available from: https://doi.org/10.1039/D0CP06091G
Artigo de periodico
Role of the OH-group in the adsorption properties of methanol, ethanol, and ethylene glycol on 15-atom 3d, 4d, and 5d transition-metal clusters (2021)
Bezerra, Raquel C.; Mendonça, João Paulo A. de; Mendes, Paulo de Carvalho Dias ; Raimundo R. Passos; Silva, Juarez Lopes Ferreira da
Source: Physical Chemistry Chemical Physics. Unidade: IQSC
Subjects: METANOL, ETANOL, METAIS
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ABNT
BEZERRA, Raquel C. et al. Role of the OH-group in the adsorption properties of methanol, ethanol, and ethylene glycol on 15-atom 3d, 4d, and 5d transition-metal clusters. Physical Chemistry Chemical Physics, v. 23, p. 17553-17566, 2021Tradução . . Disponível em: https://doi.org/10.1039/d1cp01806j. Acesso em: 08 out. 2025.
APA
Bezerra, R. C., Mendonça, J. P. A. de, Mendes, P. de C. D., Raimundo R. Passos,, & Silva, J. L. F. da. (2021). Role of the OH-group in the adsorption properties of methanol, ethanol, and ethylene glycol on 15-atom 3d, 4d, and 5d transition-metal clusters. Physical Chemistry Chemical Physics, 23, 17553-17566. doi:10.1039/d1cp01806j
NLM
Bezerra RC, Mendonça JPA de, Mendes P de CD, Raimundo R. Passos, Silva JLF da. Role of the OH-group in the adsorption properties of methanol, ethanol, and ethylene glycol on 15-atom 3d, 4d, and 5d transition-metal clusters [Internet]. Physical Chemistry Chemical Physics. 2021 ; 23 17553-17566.[citado 2025 out. 08 ] Available from: https://doi.org/10.1039/d1cp01806j
Vancouver
Bezerra RC, Mendonça JPA de, Mendes P de CD, Raimundo R. Passos, Silva JLF da. Role of the OH-group in the adsorption properties of methanol, ethanol, and ethylene glycol on 15-atom 3d, 4d, and 5d transition-metal clusters [Internet]. Physical Chemistry Chemical Physics. 2021 ; 23 17553-17566.[citado 2025 out. 08 ] Available from: https://doi.org/10.1039/d1cp01806j
Artigo de periodico
Generation, contraction, and polarisation of Gaussian basis sets for atomic and molecular calculations using the generator coordinate method with polynomial discretisation: atoms from Na through Cl (2021)
Guimaraes, Amanda Ribeiro ; Barbosa, Rugles C.; Tello, Ana Cristina Mora; Silva, Aldineia Pereira da ; Alves, Júlia M. A.; Maringolo, Milena Palhares; Silva, Alberico Borges Ferreira da
Source: Physical Chemistry Chemical Physics. Unidade: IQSC
Subjects: SÓDIO, CLORO
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ABNT
GUIMARAES, Amanda Ribeiro et al. Generation, contraction, and polarisation of Gaussian basis sets for atomic and molecular calculations using the generator coordinate method with polynomial discretisation: atoms from Na through Cl. Physical Chemistry Chemical Physics, v. 23, 2021Tradução . . Disponível em: https://doi.org/10.1039/d1cp01879e. Acesso em: 08 out. 2025.
APA
Guimaraes, A. R., Barbosa, R. C., Tello, A. C. M., Silva, A. P. da, Alves, J. M. A., Maringolo, M. P., & Silva, A. B. F. da. (2021). Generation, contraction, and polarisation of Gaussian basis sets for atomic and molecular calculations using the generator coordinate method with polynomial discretisation: atoms from Na through Cl. Physical Chemistry Chemical Physics, 23. doi:10.1039/d1cp01879e
NLM
Guimaraes AR, Barbosa RC, Tello ACM, Silva AP da, Alves JMA, Maringolo MP, Silva ABF da. Generation, contraction, and polarisation of Gaussian basis sets for atomic and molecular calculations using the generator coordinate method with polynomial discretisation: atoms from Na through Cl [Internet]. Physical Chemistry Chemical Physics. 2021 ; 23[citado 2025 out. 08 ] Available from: https://doi.org/10.1039/d1cp01879e
Vancouver
Guimaraes AR, Barbosa RC, Tello ACM, Silva AP da, Alves JMA, Maringolo MP, Silva ABF da. Generation, contraction, and polarisation of Gaussian basis sets for atomic and molecular calculations using the generator coordinate method with polynomial discretisation: atoms from Na through Cl [Internet]. Physical Chemistry Chemical Physics. 2021 ; 23[citado 2025 out. 08 ] Available from: https://doi.org/10.1039/d1cp01879e

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