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Artigo de periodico
Interplay between optical and electronic characteristics of castor oil-derived hybrid polymers (2025)
Garcia, Francis Dayan Rivas ; Nieto, Edgar F. Pinzón; Onishi, Bruno Seiki Domingos ; Santos, Ricardo Bortoletto ; Freitas, Beatriz Damasio de ; Santos, Adriano dos; Manzani, Danilo ; Bueno, Paulo Roberto; Ribeiro, Sidney José Lima
Source: ACS Applied Electronic Materials. Unidade: IQSC
Subjects: POLÍMEROS (QUÍMICA ORGÂNICA), ESTRUTURA ELETRÔNICA
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GARCIA, Francis Dayan Rivas et al. Interplay between optical and electronic characteristics of castor oil-derived hybrid polymers. ACS Applied Electronic Materials, v. 7, n. 17, p. 8034–8044, 2025Tradução . . Disponível em: https://doi.org/10.1021/acsaelm.5c00826. Acesso em: 08 nov. 2025.
APA
Garcia, F. D. R., Nieto, E. F. P., Onishi, B. S. D., Santos, R. B., Freitas, B. D. de, Santos, A. dos, et al. (2025). Interplay between optical and electronic characteristics of castor oil-derived hybrid polymers. ACS Applied Electronic Materials, 7( 17), 8034–8044. doi:10.1021/acsaelm.5c00826
NLM
Garcia FDR, Nieto EFP, Onishi BSD, Santos RB, Freitas BD de, Santos A dos, Manzani D, Bueno PR, Ribeiro SJL. Interplay between optical and electronic characteristics of castor oil-derived hybrid polymers [Internet]. ACS Applied Electronic Materials. 2025 ; 7( 17): 8034–8044.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1021/acsaelm.5c00826
Vancouver
Garcia FDR, Nieto EFP, Onishi BSD, Santos RB, Freitas BD de, Santos A dos, Manzani D, Bueno PR, Ribeiro SJL. Interplay between optical and electronic characteristics of castor oil-derived hybrid polymers [Internet]. ACS Applied Electronic Materials. 2025 ; 7( 17): 8034–8044.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1021/acsaelm.5c00826
Artigo de periodico
Relativistic adapted Gaussian basis sets free of variational prolapse of small and medium size for cesium through radon (2023)
Gusmão, Eriosvaldo Florentino ; Haiduke, Roberto Luiz Andrade
Source: Journal of Computational Chemistry. Unidade: IQSC
Subjects: ESTRUTURA ELETRÔNICA, CÉSIO
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GUSMÃO, Eriosvaldo Florentino e HAIDUKE, Roberto Luiz Andrade. Relativistic adapted Gaussian basis sets free of variational prolapse of small and medium size for cesium through radon. Journal of Computational Chemistry, v. 44, p. 2478–2485, 2023Tradução . . Disponível em: https://doi.org/10.1002/jcc.27212. Acesso em: 08 nov. 2025.
APA
Gusmão, E. F., & Haiduke, R. L. A. (2023). Relativistic adapted Gaussian basis sets free of variational prolapse of small and medium size for cesium through radon. Journal of Computational Chemistry, 44, 2478–2485. doi:10.1002/jcc.27212
NLM
Gusmão EF, Haiduke RLA. Relativistic adapted Gaussian basis sets free of variational prolapse of small and medium size for cesium through radon [Internet]. Journal of Computational Chemistry. 2023 ;44 2478–2485.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1002/jcc.27212
Vancouver
Gusmão EF, Haiduke RLA. Relativistic adapted Gaussian basis sets free of variational prolapse of small and medium size for cesium through radon [Internet]. Journal of Computational Chemistry. 2023 ;44 2478–2485.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1002/jcc.27212
Artigo de periodico
Role of the solvent and intramolecular hydrogen bonds in the antioxidative mechanism of prenylisoflavone from leaves of vatairea guianensis (2023)
Fonseca, Savio; Santos, Neidy S. S. dos; Torres, Alberto Martinez ; Siqueira, Marcelo; Cunha, Antonio da; Manzoni, Vinicius; Provasi, Patricio F.; Gester, Rodrigo do Monte ; Canuto, Sylvio Roberto Accioly
Source: The Journal of Physical Chemistry A. Unidade: IF
Subjects: ESTRUTURA ELETRÔNICA, FÍSICA MOLECULAR
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FONSECA, Savio et al. Role of the solvent and intramolecular hydrogen bonds in the antioxidative mechanism of prenylisoflavone from leaves of vatairea guianensis. The Journal of Physical Chemistry A, v. 127, n. 51, p. 10807-10816, 2023Tradução . . Disponível em: https://doi.org/10.1021/acs.jpca.3c05725. Acesso em: 08 nov. 2025.
APA
Fonseca, S., Santos, N. S. S. dos, Torres, A. M., Siqueira, M., Cunha, A. da, Manzoni, V., et al. (2023). Role of the solvent and intramolecular hydrogen bonds in the antioxidative mechanism of prenylisoflavone from leaves of vatairea guianensis. The Journal of Physical Chemistry A, 127( 51), 10807-10816. doi:10.1021/acs.jpca.3c05725
NLM
Fonseca S, Santos NSS dos, Torres AM, Siqueira M, Cunha A da, Manzoni V, Provasi PF, Gester R do M, Canuto SRA. Role of the solvent and intramolecular hydrogen bonds in the antioxidative mechanism of prenylisoflavone from leaves of vatairea guianensis [Internet]. The Journal of Physical Chemistry A. 2023 ; 127( 51): 10807-10816.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1021/acs.jpca.3c05725
Vancouver
Fonseca S, Santos NSS dos, Torres AM, Siqueira M, Cunha A da, Manzoni V, Provasi PF, Gester R do M, Canuto SRA. Role of the solvent and intramolecular hydrogen bonds in the antioxidative mechanism of prenylisoflavone from leaves of vatairea guianensis [Internet]. The Journal of Physical Chemistry A. 2023 ; 127( 51): 10807-10816.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1021/acs.jpca.3c05725
Artigo de periodico
Two-dimensional ferromagnetic extension of a topological insulator (2023)
Kagerer, Philipp ; Morelhão, Sérgio Luiz
Source: Physical Review Research. Unidade: IF
Subjects: MATERIAIS, MATERIAIS MAGNÉTICOS, ESTRUTURA ELETRÔNICA, FERROMAGNETISMO, MEDIDA DE LEBESGUE
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KAGERER, Philipp e MORELHÃO, Sérgio Luiz. Two-dimensional ferromagnetic extension of a topological insulator. Physical Review Research, v. 5, n. 2, 2023Tradução . . Disponível em: https://doi.org/10.1103/PhysRevResearch.5.L022019. Acesso em: 08 nov. 2025.
APA
Kagerer, P., & Morelhão, S. L. (2023). Two-dimensional ferromagnetic extension of a topological insulator. Physical Review Research, 5( 2). doi:10.1103/PhysRevResearch.5.L022019
NLM
Kagerer P, Morelhão SL. Two-dimensional ferromagnetic extension of a topological insulator [Internet]. Physical Review Research. 2023 ; 5( 2):[citado 2025 nov. 08 ] Available from: https://doi.org/10.1103/PhysRevResearch.5.L022019
Vancouver
Kagerer P, Morelhão SL. Two-dimensional ferromagnetic extension of a topological insulator [Internet]. Physical Review Research. 2023 ; 5( 2):[citado 2025 nov. 08 ] Available from: https://doi.org/10.1103/PhysRevResearch.5.L022019
Artigo de periodico
Orbital localization and the role of the Fe and As 4 p orbitals in BaFe 2 As 2 probed by XANES (2022)
Figueiredo, Alvaro Godoy de ; Cantarino, Marli dos Reis ; Silva Neto ; Pakuszewski, K. R. ; Grossi, Rogério Murilo ; Christovam, D. S. ; Souza, Jean ; Piva, Mario Moda ; Freitas, G. S.; Pagliuso, P. G.; Adriano, C.; Garcia, Fernando Assis
Source: Physical Review B. Unidades: IF, IQ
Subjects: FÍSICO-QUÍMICA, FÍSICA MODERNA, ESPECTROSCOPIA DE RAIO X, ESTRUTURA ELETRÔNICA, QUÍMICA QUÂNTICA, SUPERCONDUTIVIDADE
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FIGUEIREDO, Alvaro Godoy de et al. Orbital localization and the role of the Fe and As 4 p orbitals in BaFe 2 As 2 probed by XANES. Physical Review B, v. 105, n. 4, 2022Tradução . . Disponível em: https://doi.org/10.1103/PhysRevB.105.045130. Acesso em: 08 nov. 2025.
APA
Figueiredo, A. G. de, Cantarino, M. dos R., Silva Neto,, Pakuszewski, K. R., Grossi, R. M., Christovam, D. S., et al. (2022). Orbital localization and the role of the Fe and As 4 p orbitals in BaFe 2 As 2 probed by XANES. Physical Review B, 105( 4). doi:10.1103/PhysRevB.105.045130
NLM
Figueiredo AG de, Cantarino M dos R, Silva Neto, Pakuszewski KR, Grossi RM, Christovam DS, Souza J, Piva MM, Freitas GS, Pagliuso PG, Adriano C, Garcia FA. Orbital localization and the role of the Fe and As 4 p orbitals in BaFe 2 As 2 probed by XANES [Internet]. Physical Review B. 2022 ; 105( 4):[citado 2025 nov. 08 ] Available from: https://doi.org/10.1103/PhysRevB.105.045130
Vancouver
Figueiredo AG de, Cantarino M dos R, Silva Neto, Pakuszewski KR, Grossi RM, Christovam DS, Souza J, Piva MM, Freitas GS, Pagliuso PG, Adriano C, Garcia FA. Orbital localization and the role of the Fe and As 4 p orbitals in BaFe 2 As 2 probed by XANES [Internet]. Physical Review B. 2022 ; 105( 4):[citado 2025 nov. 08 ] Available from: https://doi.org/10.1103/PhysRevB.105.045130
Artigo de periodico
Relativistic adapted Gaussian basis sets free of variational prolapse of small and medium size for hydrogen through xenon (2022)
Gusmão, Eriosvaldo Florentino ; Haiduke, Roberto Luiz Andrade
Source: Journal of Computational Chemistry. Unidade: IQSC
Subjects: ESTRUTURA ELETRÔNICA, HIDROGÊNIO, XENÔNIO
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GUSMÃO, Eriosvaldo Florentino e HAIDUKE, Roberto Luiz Andrade. Relativistic adapted Gaussian basis sets free of variational prolapse of small and medium size for hydrogen through xenon. Journal of Computational Chemistry, p. 1-10, 2022Tradução . . Disponível em: https://doi.org/10.1002/jcc.26990. Acesso em: 08 nov. 2025.
APA
Gusmão, E. F., & Haiduke, R. L. A. (2022). Relativistic adapted Gaussian basis sets free of variational prolapse of small and medium size for hydrogen through xenon. Journal of Computational Chemistry, 1-10. doi:10.1002/jcc.26990
NLM
Gusmão EF, Haiduke RLA. Relativistic adapted Gaussian basis sets free of variational prolapse of small and medium size for hydrogen through xenon [Internet]. Journal of Computational Chemistry. 2022 ;1-10.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1002/jcc.26990
Vancouver
Gusmão EF, Haiduke RLA. Relativistic adapted Gaussian basis sets free of variational prolapse of small and medium size for hydrogen through xenon [Internet]. Journal of Computational Chemistry. 2022 ;1-10.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1002/jcc.26990
Artigo de periodico
Probing the site-selective doping in SrSnO3:Eu oxides and its impact on the crystal and electronic structures using synchrotron radiation and DFT simulations (2020)
Chantelle, Laís; Oliveira, André Luiz Menezes de ; Kennedy, Brendan J. ; Maul, Jefferson; Silva, Márcia R. S.; Duarte, Thiago M.; Albuquerque, Anderson R. ; Sambrano, Julio R.; Landers, Richard ; Siu Li, Máximo ; Longo, Elson ; Santos, Iêda Maria Garcia dos
Source: Inorganic Chemistry. Unidade: IFSC
Subjects: MATERIAIS, ESTRUTURA ELETRÔNICA, FILMES FINOS
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CHANTELLE, Laís et al. Probing the site-selective doping in SrSnO3:Eu oxides and its impact on the crystal and electronic structures using synchrotron radiation and DFT simulations. Inorganic Chemistry, v. 59, n. 11, p. 7666-7680, 2020Tradução . . Disponível em: https://doi.org/10.1021/acs.inorgchem.0c00664. Acesso em: 08 nov. 2025.
APA
Chantelle, L., Oliveira, A. L. M. de, Kennedy, B. J., Maul, J., Silva, M. R. S., Duarte, T. M., et al. (2020). Probing the site-selective doping in SrSnO3:Eu oxides and its impact on the crystal and electronic structures using synchrotron radiation and DFT simulations. Inorganic Chemistry, 59( 11), 7666-7680. doi:10.1021/acs.inorgchem.0c00664
NLM
Chantelle L, Oliveira ALM de, Kennedy BJ, Maul J, Silva MRS, Duarte TM, Albuquerque AR, Sambrano JR, Landers R, Siu Li M, Longo E, Santos IMG dos. Probing the site-selective doping in SrSnO3:Eu oxides and its impact on the crystal and electronic structures using synchrotron radiation and DFT simulations [Internet]. Inorganic Chemistry. 2020 ; 59( 11): 7666-7680.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1021/acs.inorgchem.0c00664
Vancouver
Chantelle L, Oliveira ALM de, Kennedy BJ, Maul J, Silva MRS, Duarte TM, Albuquerque AR, Sambrano JR, Landers R, Siu Li M, Longo E, Santos IMG dos. Probing the site-selective doping in SrSnO3:Eu oxides and its impact on the crystal and electronic structures using synchrotron radiation and DFT simulations [Internet]. Inorganic Chemistry. 2020 ; 59( 11): 7666-7680.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1021/acs.inorgchem.0c00664
Artigo de periodico
Hard x-ray spectroscopy of the itinerant magnetsRFe4Sb12(R=Na, K, Ca, Sr, Ba) (2019)
Mounssef Jr., Bassim; Cantarino, Marli dos Reis; Bittar, Eduardo M.; Germano, Tarsis Mendes; Leithe-Jasper, Andreas; Garcia, Fernando Assis
Source: Physical Review B. Unidades: IF, IQ
Subjects: ESPECTROSCOPIA, RAIOS X, RADIAÇÃO SINCROTRON, MAGNETISMO, ESTRUTURA ELETRÔNICA
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MOUNSSEF JR., Bassim et al. Hard x-ray spectroscopy of the itinerant magnetsRFe4Sb12(R=Na, K, Ca, Sr, Ba). Physical Review B, v. 99, n. 3, 2019Tradução . . Disponível em: https://doi.org/10.1103/PhysRevB.99.035152. Acesso em: 08 nov. 2025.
APA
Mounssef Jr., B., Cantarino, M. dos R., Bittar, E. M., Germano, T. M., Leithe-Jasper, A., & Garcia, F. A. (2019). Hard x-ray spectroscopy of the itinerant magnetsRFe4Sb12(R=Na, K, Ca, Sr, Ba). Physical Review B, 99( 3). doi:10.1103/PhysRevB.99.035152
NLM
Mounssef Jr. B, Cantarino M dos R, Bittar EM, Germano TM, Leithe-Jasper A, Garcia FA. Hard x-ray spectroscopy of the itinerant magnetsRFe4Sb12(R=Na, K, Ca, Sr, Ba) [Internet]. Physical Review B. 2019 ; 99( 3):[citado 2025 nov. 08 ] Available from: https://doi.org/10.1103/PhysRevB.99.035152
Vancouver
Mounssef Jr. B, Cantarino M dos R, Bittar EM, Germano TM, Leithe-Jasper A, Garcia FA. Hard x-ray spectroscopy of the itinerant magnetsRFe4Sb12(R=Na, K, Ca, Sr, Ba) [Internet]. Physical Review B. 2019 ; 99( 3):[citado 2025 nov. 08 ] Available from: https://doi.org/10.1103/PhysRevB.99.035152
Artigo de periodico
Understanding the white-emitting CaMoO4 co-doped Eu3+, Tb3+, and Tm3+ phosphor through experiment and computation (2019)
Tranquilin, R. L.; Lovisa, L. X.; Almeida, C. R. R.; Paskocimas, C. A.; Siu Li, Máximo ; Oliveira, M. C.; Gracia, L.; Andres, J.; Longo, E.; Motta, F. V.; Bomio, M. R. D.
Source: Journal of Physical Chemistry C. Unidade: IFSC
Subjects: PIRÓLISE, TERRAS RARAS, ESTRUTURA ELETRÔNICA
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TRANQUILIN, R. L. et al. Understanding the white-emitting CaMoO4 co-doped Eu3+, Tb3+, and Tm3+ phosphor through experiment and computation. Journal of Physical Chemistry C, v. 123, n. 30, p. 18536-18550, 2019Tradução . . Disponível em: https://doi.org/10.1021/acs.jpcc.9b04123. Acesso em: 08 nov. 2025.
APA
Tranquilin, R. L., Lovisa, L. X., Almeida, C. R. R., Paskocimas, C. A., Siu Li, M., Oliveira, M. C., et al. (2019). Understanding the white-emitting CaMoO4 co-doped Eu3+, Tb3+, and Tm3+ phosphor through experiment and computation. Journal of Physical Chemistry C, 123( 30), 18536-18550. doi:10.1021/acs.jpcc.9b04123
NLM
Tranquilin RL, Lovisa LX, Almeida CRR, Paskocimas CA, Siu Li M, Oliveira MC, Gracia L, Andres J, Longo E, Motta FV, Bomio MRD. Understanding the white-emitting CaMoO4 co-doped Eu3+, Tb3+, and Tm3+ phosphor through experiment and computation [Internet]. Journal of Physical Chemistry C. 2019 ; 123( 30): 18536-18550.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1021/acs.jpcc.9b04123
Vancouver
Tranquilin RL, Lovisa LX, Almeida CRR, Paskocimas CA, Siu Li M, Oliveira MC, Gracia L, Andres J, Longo E, Motta FV, Bomio MRD. Understanding the white-emitting CaMoO4 co-doped Eu3+, Tb3+, and Tm3+ phosphor through experiment and computation [Internet]. Journal of Physical Chemistry C. 2019 ; 123( 30): 18536-18550.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1021/acs.jpcc.9b04123
Artigo de periodico
Thermally activated delayed fluorescence mediated through the upper triplet state manifold in non-charge-transfer star-shaped triphenylamine–carbazole molecules (2018)
Pander, Piotr; Etherington, Marc K.; Monkman, Andrew P.; Motyka, Radoslaw; Zassowski, Pawel; Varsano, Daniele; Data, Przemyslaw; Silva, Tales José da; Caldas, Marilia Junqueira
Source: Journal of Physical Chemistry C. Unidade: IF
Subjects: ESTRUTURA ELETRÔNICA, SEMICONDUTORES
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PANDER, Piotr et al. Thermally activated delayed fluorescence mediated through the upper triplet state manifold in non-charge-transfer star-shaped triphenylamine–carbazole molecules. Journal of Physical Chemistry C, v. 122, n. 42, p. 23934-23942, 2018Tradução . . Disponível em: https://doi.org/10.1021/acs.jpcc.8b07510. Acesso em: 08 nov. 2025.
APA
Pander, P., Etherington, M. K., Monkman, A. P., Motyka, R., Zassowski, P., Varsano, D., et al. (2018). Thermally activated delayed fluorescence mediated through the upper triplet state manifold in non-charge-transfer star-shaped triphenylamine–carbazole molecules. Journal of Physical Chemistry C, 122( 42), 23934-23942. doi:10.1021/acs.jpcc.8b07510
NLM
Pander P, Etherington MK, Monkman AP, Motyka R, Zassowski P, Varsano D, Data P, Silva TJ da, Caldas MJ. Thermally activated delayed fluorescence mediated through the upper triplet state manifold in non-charge-transfer star-shaped triphenylamine–carbazole molecules [Internet]. Journal of Physical Chemistry C. 2018 ; 122( 42): 23934-23942.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1021/acs.jpcc.8b07510
Vancouver
Pander P, Etherington MK, Monkman AP, Motyka R, Zassowski P, Varsano D, Data P, Silva TJ da, Caldas MJ. Thermally activated delayed fluorescence mediated through the upper triplet state manifold in non-charge-transfer star-shaped triphenylamine–carbazole molecules [Internet]. Journal of Physical Chemistry C. 2018 ; 122( 42): 23934-23942.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1021/acs.jpcc.8b07510
Artigo de periodico
Insights into the unconventional superconductivity in HfV2Ga4 and ScV2Ga4 from first-principles electronic-structure calculations (2018)
Ferreira, P. P; Santos, F. B.; Machado, A J S; Eleno, Luiz Tadeu Fernandes ; Petrilli, Helena Maria
Source: Physical Review B. Unidades: EEL, IF
Subjects: ESTRUTURA ELETRÔNICA, SUPERCONDUTIVIDADE, FÍSICA DA MATÉRIA CONDENSADA
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FERREIRA, P. P et al. Insights into the unconventional superconductivity in HfV2Ga4 and ScV2Ga4 from first-principles electronic-structure calculations. Physical Review B, v. 98, n. 4, p. 1-7, 2018Tradução . . Disponível em: https://doi.org/10.1103/PhysRevB.98.045126. Acesso em: 08 nov. 2025.
APA
Ferreira, P. P., Santos, F. B., Machado, A. J. S., Eleno, L. T. F., & Petrilli, H. M. (2018). Insights into the unconventional superconductivity in HfV2Ga4 and ScV2Ga4 from first-principles electronic-structure calculations. Physical Review B, 98( 4), 1-7. doi:10.1103/PhysRevB.98.045126
NLM
Ferreira PP, Santos FB, Machado AJS, Eleno LTF, Petrilli HM. Insights into the unconventional superconductivity in HfV2Ga4 and ScV2Ga4 from first-principles electronic-structure calculations [Internet]. Physical Review B. 2018 ; 98( 4): 1-7.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1103/PhysRevB.98.045126
Vancouver
Ferreira PP, Santos FB, Machado AJS, Eleno LTF, Petrilli HM. Insights into the unconventional superconductivity in HfV2Ga4 and ScV2Ga4 from first-principles electronic-structure calculations [Internet]. Physical Review B. 2018 ; 98( 4): 1-7.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1103/PhysRevB.98.045126
Artigo de periodico
Approximate quasiparticle correction for calculations of the energy gap in two-dimensional materials (2018)
Guilhon, Ivan; Koda, Daniel S; Ferreira, Luiz Guimarães; Marques, Marcelo; Teles, Lara Kuhl
Source: Physical Review B. Unidade: IF
Subjects: ESTRUTURA ELETRÔNICA, SEMICONDUTIVIDADE, FILMES FINOS
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GUILHON, Ivan et al. Approximate quasiparticle correction for calculations of the energy gap in two-dimensional materials. Physical Review B, v. 97, n. 4, 2018Tradução . . Disponível em: https://doi.org/10.1103/physrevb.97.045426. Acesso em: 08 nov. 2025.
APA
Guilhon, I., Koda, D. S., Ferreira, L. G., Marques, M., & Teles, L. K. (2018). Approximate quasiparticle correction for calculations of the energy gap in two-dimensional materials. Physical Review B, 97( 4). doi:10.1103/physrevb.97.045426
NLM
Guilhon I, Koda DS, Ferreira LG, Marques M, Teles LK. Approximate quasiparticle correction for calculations of the energy gap in two-dimensional materials [Internet]. Physical Review B. 2018 ; 97( 4):[citado 2025 nov. 08 ] Available from: https://doi.org/10.1103/physrevb.97.045426
Vancouver
Guilhon I, Koda DS, Ferreira LG, Marques M, Teles LK. Approximate quasiparticle correction for calculations of the energy gap in two-dimensional materials [Internet]. Physical Review B. 2018 ; 97( 4):[citado 2025 nov. 08 ] Available from: https://doi.org/10.1103/physrevb.97.045426
Artigo de periodico
Microscopic origin of different hydration patterns of para-nitrophenol and its anion: a study combining multiconfigurational calculations and the free-energy gradient method (2018)
Bistafa, Carlos; Kitamura, Yukichi; Nagaoka, Masataka; Canuto, Sylvio Roberto Accioly
Source: Journal of Physical Chemistry B. Unidade: IF
Subjects: ESTRUTURA ELETRÔNICA, ELETROSTÁTICA, NUCLEOSÍDEOS, MICROSCÓPIA
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BISTAFA, Carlos et al. Microscopic origin of different hydration patterns of para-nitrophenol and its anion: a study combining multiconfigurational calculations and the free-energy gradient method. Journal of Physical Chemistry B, v. 122, n. 39, p. 9202-9209, 2018Tradução . . Disponível em: https://doi.org/10.1021/acs.jpcb.8b06439. Acesso em: 08 nov. 2025.
APA
Bistafa, C., Kitamura, Y., Nagaoka, M., & Canuto, S. R. A. (2018). Microscopic origin of different hydration patterns of para-nitrophenol and its anion: a study combining multiconfigurational calculations and the free-energy gradient method. Journal of Physical Chemistry B, 122( 39), 9202-9209. doi:10.1021/acs.jpcb.8b06439
NLM
Bistafa C, Kitamura Y, Nagaoka M, Canuto SRA. Microscopic origin of different hydration patterns of para-nitrophenol and its anion: a study combining multiconfigurational calculations and the free-energy gradient method [Internet]. Journal of Physical Chemistry B. 2018 ; 122( 39): 9202-9209.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1021/acs.jpcb.8b06439
Vancouver
Bistafa C, Kitamura Y, Nagaoka M, Canuto SRA. Microscopic origin of different hydration patterns of para-nitrophenol and its anion: a study combining multiconfigurational calculations and the free-energy gradient method [Internet]. Journal of Physical Chemistry B. 2018 ; 122( 39): 9202-9209.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1021/acs.jpcb.8b06439
Artigo de periodico
Theoretical study of the NMR chemical shift of 'XE' in supercritical condition (2018)
Lacerda Jr., Evanildo G.; Sauer, Stephan P. A.; Mikkelsen, Kurt V.; Canuto, Sylvio Roberto Accioly ; Coutinho, Kaline Rabelo
Source: Journal of Molecular Modeling. Unidade: IF
Subjects: ESTRUTURA ELETRÔNICA, ELETROSTÁTICA, NUCLEOSÍDEOS, CLUSTERS
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ABNT
LACERDA JR., Evanildo G. et al. Theoretical study of the NMR chemical shift of 'XE' in supercritical condition. Journal of Molecular Modeling, v. 24, n. 3, p. 62, 2018Tradução . . Disponível em: https://doi.org/10.1007/s00894-018-3600-4. Acesso em: 08 nov. 2025.
APA
Lacerda Jr., E. G., Sauer, S. P. A., Mikkelsen, K. V., Canuto, S. R. A., & Coutinho, K. R. (2018). Theoretical study of the NMR chemical shift of 'XE' in supercritical condition. Journal of Molecular Modeling, 24( 3), 62. doi:10.1007/s00894-018-3600-4
NLM
Lacerda Jr. EG, Sauer SPA, Mikkelsen KV, Canuto SRA, Coutinho KR. Theoretical study of the NMR chemical shift of 'XE' in supercritical condition [Internet]. Journal of Molecular Modeling. 2018 ; 24( 3): 62.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1007/s00894-018-3600-4
Vancouver
Lacerda Jr. EG, Sauer SPA, Mikkelsen KV, Canuto SRA, Coutinho KR. Theoretical study of the NMR chemical shift of 'XE' in supercritical condition [Internet]. Journal of Molecular Modeling. 2018 ; 24( 3): 62.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1007/s00894-018-3600-4
Artigo de periodico
NMR spin–spin coupling constants in hydrogen‐bonded glycine clusters (2018)
Chaudhuri, Puspitapallab; Provasi, Patricio F.; Canuto, Sylvio Roberto Accioly
Source: International Journal of Quantum Chemistry. Unidade: IF
Subjects: ESTRUTURA ELETRÔNICA, ELETROSTÁTICA, NUCLEOSÍDEOS, CLUSTERS
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
CHAUDHURI, Puspitapallab e PROVASI, Patricio F. e CANUTO, Sylvio Roberto Accioly. NMR spin–spin coupling constants in hydrogen‐bonded glycine clusters. International Journal of Quantum Chemistry, v. 118 n. 15, p. e25608, 2018Tradução . . Disponível em: https://doi.org/10.1002/qua.25608. Acesso em: 08 nov. 2025.
APA
Chaudhuri, P., Provasi, P. F., & Canuto, S. R. A. (2018). NMR spin–spin coupling constants in hydrogen‐bonded glycine clusters. International Journal of Quantum Chemistry, 118 n. 15, e25608. doi:10.1002/qua.25608
NLM
Chaudhuri P, Provasi PF, Canuto SRA. NMR spin–spin coupling constants in hydrogen‐bonded glycine clusters [Internet]. International Journal of Quantum Chemistry. 2018 ; 118 n. 15 e25608.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1002/qua.25608
Vancouver
Chaudhuri P, Provasi PF, Canuto SRA. NMR spin–spin coupling constants in hydrogen‐bonded glycine clusters [Internet]. International Journal of Quantum Chemistry. 2018 ; 118 n. 15 e25608.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1002/qua.25608
Artigo de periodico
Robust helical edge transport at 'nü' = 0 quantum Hall state (2017)
Gusev, Guennadii Michailovich; Kozlov, D A; Levine, Alexandre ; Kvon, Z D; Mikhailov, N N; Dvoretsky, S A
Source: Physical Review B. Unidade: IF
Assunto: ESTRUTURA ELETRÔNICA
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ABNT
GUSEV, Guennadii Michailovich et al. Robust helical edge transport at 'nü' = 0 quantum Hall state. Physical Review B, v. 96, n. 4, p. 045304/1-045304/5, 2017Tradução . . Disponível em: https://doi.org/10.1103/PhysRevB.96.045304. Acesso em: 08 nov. 2025.
APA
Gusev, G. M., Kozlov, D. A., Levine, A., Kvon, Z. D., Mikhailov, N. N., & Dvoretsky, S. A. (2017). Robust helical edge transport at 'nü' = 0 quantum Hall state. Physical Review B, 96( 4), 045304/1-045304/5. doi:10.1103/PhysRevB.96.045304
NLM
Gusev GM, Kozlov DA, Levine A, Kvon ZD, Mikhailov NN, Dvoretsky SA. Robust helical edge transport at 'nü' = 0 quantum Hall state [Internet]. Physical Review B. 2017 ;96( 4): 045304/1-045304/5.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1103/PhysRevB.96.045304
Vancouver
Gusev GM, Kozlov DA, Levine A, Kvon ZD, Mikhailov NN, Dvoretsky SA. Robust helical edge transport at 'nü' = 0 quantum Hall state [Internet]. Physical Review B. 2017 ;96( 4): 045304/1-045304/5.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1103/PhysRevB.96.045304
Artigo de periodico
Single vacancy defect in graphene: insights into its magnetic properties from theoretical modeling (2017)
Valencia, Ana Maria; Caldas, Marilia Junqueira
Source: Physical Review B. Unidade: IF
Subjects: ESTRUTURA ELETRÔNICA, MAGNETISMO
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
VALENCIA, Ana Maria e CALDAS, Marilia Junqueira. Single vacancy defect in graphene: insights into its magnetic properties from theoretical modeling. Physical Review B, v. 96, n. 12, p. 125431/1- 125431/9, 2017Tradução . . Disponível em: https://doi.org/10.1103/PhysRevB.96.125431. Acesso em: 08 nov. 2025.
APA
Valencia, A. M., & Caldas, M. J. (2017). Single vacancy defect in graphene: insights into its magnetic properties from theoretical modeling. Physical Review B, 96( 12), 125431/1- 125431/9. doi:10.1103/PhysRevB.96.125431
NLM
Valencia AM, Caldas MJ. Single vacancy defect in graphene: insights into its magnetic properties from theoretical modeling [Internet]. Physical Review B. 2017 ; 96( 12): 125431/1- 125431/9.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1103/PhysRevB.96.125431
Vancouver
Valencia AM, Caldas MJ. Single vacancy defect in graphene: insights into its magnetic properties from theoretical modeling [Internet]. Physical Review B. 2017 ; 96( 12): 125431/1- 125431/9.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1103/PhysRevB.96.125431
Artigo de periodico
Spectroscopy and electronic structure of 'SR' IND.2''Y''RU''O' IND. 6' and 'SR' IND. 2''Y''RU' IND. 0.75''IR' IND. 0.25''O' IND. 6' (2016)
Guedes, E. B.; Abbate, M.; Mossanek, R. J. O.; Vicentin, F. C.; Abud, Fábio Santos Alves ; Jardim, Renato de Figueiredo
Source: PHYSICAL REVIEW B. Unidade: IF
Subjects: ESPECTROSCOPIA, ESTRUTURA ELETRÔNICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
GUEDES, E. B. et al. Spectroscopy and electronic structure of 'SR' IND.2''Y''RU''O' IND. 6' and 'SR' IND. 2''Y''RU' IND. 0.75''IR' IND. 0.25''O' IND. 6'. PHYSICAL REVIEW B, v. 94, n. 4, p. 045109, 2016Tradução . . Disponível em: https://doi.org/10.1103/PhysRevB.94.045109. Acesso em: 08 nov. 2025.
APA
Guedes, E. B., Abbate, M., Mossanek, R. J. O., Vicentin, F. C., Abud, F. S. A., & Jardim, R. de F. (2016). Spectroscopy and electronic structure of 'SR' IND.2''Y''RU''O' IND. 6' and 'SR' IND. 2''Y''RU' IND. 0.75''IR' IND. 0.25''O' IND. 6'. PHYSICAL REVIEW B, 94( 4), 045109. doi:10.1103/PhysRevB.94.045109
NLM
Guedes EB, Abbate M, Mossanek RJO, Vicentin FC, Abud FSA, Jardim R de F. Spectroscopy and electronic structure of 'SR' IND.2''Y''RU''O' IND. 6' and 'SR' IND. 2''Y''RU' IND. 0.75''IR' IND. 0.25''O' IND. 6' [Internet]. PHYSICAL REVIEW B. 2016 ; 94( 4): 045109.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1103/PhysRevB.94.045109
Vancouver
Guedes EB, Abbate M, Mossanek RJO, Vicentin FC, Abud FSA, Jardim R de F. Spectroscopy and electronic structure of 'SR' IND.2''Y''RU''O' IND. 6' and 'SR' IND. 2''Y''RU' IND. 0.75''IR' IND. 0.25''O' IND. 6' [Internet]. PHYSICAL REVIEW B. 2016 ; 94( 4): 045109.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1103/PhysRevB.94.045109
Artigo de periodico
Ferric-Thiolate bond dissociation studied with electronic structure calculations (2015)
Arantes, Guilherme Menegon ; Field, Martin J
Source: Journal of Physical Chemistry A. Unidade: IQ
Subjects: ESTRUTURA ELETRÔNICA, BIOQUÍMICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
ARANTES, Guilherme Menegon e FIELD, Martin J. Ferric-Thiolate bond dissociation studied with electronic structure calculations. Journal of Physical Chemistry A, v. 19, n. 39, p. 10084-10090, 2015Tradução . . Disponível em: https://doi.org/10.1021/acs.jpca.5b05658. Acesso em: 08 nov. 2025.
APA
Arantes, G. M., & Field, M. J. (2015). Ferric-Thiolate bond dissociation studied with electronic structure calculations. Journal of Physical Chemistry A, 19( 39), 10084-10090. doi:10.1021/acs.jpca.5b05658
NLM
Arantes GM, Field MJ. Ferric-Thiolate bond dissociation studied with electronic structure calculations [Internet]. Journal of Physical Chemistry A. 2015 ; 19( 39): 10084-10090.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1021/acs.jpca.5b05658
Vancouver
Arantes GM, Field MJ. Ferric-Thiolate bond dissociation studied with electronic structure calculations [Internet]. Journal of Physical Chemistry A. 2015 ; 19( 39): 10084-10090.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1021/acs.jpca.5b05658
Artigo de periodico
Length dependence of ionization potentials of transacetylenes: internally consistent DFT/GW approach (2015)
Pinheiro, Max; Rinke, Patrick; Blum, Volker; Scheffler, Matthias; Caldas, Marilia Junqueira
Source: PHYSICAL REVIEW B. Unidade: IF
Subjects: ESTRUTURA ELETRÔNICA, POLÍMEROS (QUÍMICA ORGÂNICA)
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
PINHEIRO, Max et al. Length dependence of ionization potentials of transacetylenes: internally consistent DFT/GW approach. PHYSICAL REVIEW B, v. no 2015, n. 19, p. 195134, 2015Tradução . . Disponível em: https://doi.org/10.1103/physrevb.92.195134. Acesso em: 08 nov. 2025.
APA
Pinheiro, M., Rinke, P., Blum, V., Scheffler, M., & Caldas, M. J. (2015). Length dependence of ionization potentials of transacetylenes: internally consistent DFT/GW approach. PHYSICAL REVIEW B, no 2015( 19), 195134. doi:10.1103/physrevb.92.195134
NLM
Pinheiro M, Rinke P, Blum V, Scheffler M, Caldas MJ. Length dependence of ionization potentials of transacetylenes: internally consistent DFT/GW approach [Internet]. PHYSICAL REVIEW B. 2015 ; no 2015( 19): 195134.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1103/physrevb.92.195134
Vancouver
Pinheiro M, Rinke P, Blum V, Scheffler M, Caldas MJ. Length dependence of ionization potentials of transacetylenes: internally consistent DFT/GW approach [Internet]. PHYSICAL REVIEW B. 2015 ; no 2015( 19): 195134.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1103/physrevb.92.195134

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