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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
Electronic Structure of Water from Koopmans-Compliant Functionals (2021)
Almeida, James Moraes de ; Nguyen, Ngoc Linh; Colonna, Nicola ; Chen, Wei ; Miranda, Caetano Rodrigues ; Pasquarello, Alfredo ; Marzari, Nicola
Source: Journal of Chemical Theory and Computation. Unidade: IF
Subjects: MATERIAIS, FÍSICO-QUÍMICA, ESPECTROSCOPIA DA LUZ, ESTRUTURA ELETRÔNICA, ÁGUA
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ALMEIDA, James Moraes de et al. Electronic Structure of Water from Koopmans-Compliant Functionals. Journal of Chemical Theory and Computation, v. 17, n. 7, p. 3923-3930, 2021Tradução . . Disponível em: https://doi.org/10.1021/acs.jctc.1c00063. Acesso em: 08 nov. 2025.
APA
Almeida, J. M. de, Nguyen, N. L., Colonna, N., Chen, W., Miranda, C. R., Pasquarello, A., & Marzari, N. (2021). Electronic Structure of Water from Koopmans-Compliant Functionals. Journal of Chemical Theory and Computation, 17( 7), 3923-3930. doi:10.1021/acs.jctc.1c00063
NLM
Almeida JM de, Nguyen NL, Colonna N, Chen W, Miranda CR, Pasquarello A, Marzari N. Electronic Structure of Water from Koopmans-Compliant Functionals [Internet]. Journal of Chemical Theory and Computation. 2021 ; 17( 7): 3923-3930.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1021/acs.jctc.1c00063
Vancouver
Almeida JM de, Nguyen NL, Colonna N, Chen W, Miranda CR, Pasquarello A, Marzari N. Electronic Structure of Water from Koopmans-Compliant Functionals [Internet]. Journal of Chemical Theory and Computation. 2021 ; 17( 7): 3923-3930.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1021/acs.jctc.1c00063
Artigo de periodico
Permutationally restrained diabatization by machine intelligence (2021)
Shu, Yinan; Varga, Zoltan; Oliveira Filho, Antonio Gustavo Sampaio de ; Truhlar, Donald G.
Source: Journal of Chemical Theory and Computation. Unidade: FFCLRP
Subjects: APRENDIZADO COMPUTACIONAL, ESTRUTURA ELETRÔNICA, QUÍMICA TEÓRICA, ACOPLAGEM
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SHU, Yinan et al. Permutationally restrained diabatization by machine intelligence. Journal of Chemical Theory and Computation, v. 17, n. 2, p. 1106-1116, 2021Tradução . . Disponível em: https://doi.org/10.1021/acs.jctc.0c01110. Acesso em: 08 nov. 2025.
APA
Shu, Y., Varga, Z., Oliveira Filho, A. G. S. de, & Truhlar, D. G. (2021). Permutationally restrained diabatization by machine intelligence. Journal of Chemical Theory and Computation, 17( 2), 1106-1116. doi:10.1021/acs.jctc.0c01110
NLM
Shu Y, Varga Z, Oliveira Filho AGS de, Truhlar DG. Permutationally restrained diabatization by machine intelligence [Internet]. Journal of Chemical Theory and Computation. 2021 ; 17( 2): 1106-1116.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1021/acs.jctc.0c01110
Vancouver
Shu Y, Varga Z, Oliveira Filho AGS de, Truhlar DG. Permutationally restrained diabatization by machine intelligence [Internet]. Journal of Chemical Theory and Computation. 2021 ; 17( 2): 1106-1116.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1021/acs.jctc.0c01110
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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ABNT
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
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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ABNT
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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ABNT
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
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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
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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
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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
Artigo de periodico
Valley hall effect in silicene and hydrogenated silicene ruled by grain boundaries: an ab initio investigation (2015)
Miwa, R. H.; Kagimura, R.; Lima, Matheus P.; Fazzio, Adalberto
Source: PHYSICAL REVIEW B. Unidade: IF
Subjects: FERROMAGNETISMO, ESTRUTURA ELETRÔNICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
MIWA, R. H. et al. Valley hall effect in silicene and hydrogenated silicene ruled by grain boundaries: an ab initio investigation. PHYSICAL REVIEW B, v. 91, n. 20, p. 205442, 2015Tradução . . Disponível em: https://doi.org/10.1103/physrevb.91.205442. Acesso em: 08 nov. 2025.
APA
Miwa, R. H., Kagimura, R., Lima, M. P., & Fazzio, A. (2015). Valley hall effect in silicene and hydrogenated silicene ruled by grain boundaries: an ab initio investigation. PHYSICAL REVIEW B, 91( 20), 205442. doi:10.1103/physrevb.91.205442
NLM
Miwa RH, Kagimura R, Lima MP, Fazzio A. Valley hall effect in silicene and hydrogenated silicene ruled by grain boundaries: an ab initio investigation [Internet]. PHYSICAL REVIEW B. 2015 ; 91( 20): 205442.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1103/physrevb.91.205442
Vancouver
Miwa RH, Kagimura R, Lima MP, Fazzio A. Valley hall effect in silicene and hydrogenated silicene ruled by grain boundaries: an ab initio investigation [Internet]. PHYSICAL REVIEW B. 2015 ; 91( 20): 205442.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1103/physrevb.91.205442
Artigo de periodico
Switching a normal insulator into a topological insulator via electric field with application to phosphorene (2015)
Liu, Qihang; Zhang, Xiuwen; Zunger, Alex; Abdalla, Leonardo Batoni; Fazzio, Adalberto
Source: NANO LETTERS. Unidade: IF
Subjects: SPINTRÔNICA, ESTRUTURA ELETRÔNICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
LIU, Qihang et al. Switching a normal insulator into a topological insulator via electric field with application to phosphorene. NANO LETTERS, v. fe 2015, n. 2, p. 1222-1228, 2015Tradução . . Disponível em: https://doi.org/10.1021/nl5043769. Acesso em: 08 nov. 2025.
APA
Liu, Q., Zhang, X., Zunger, A., Abdalla, L. B., & Fazzio, A. (2015). Switching a normal insulator into a topological insulator via electric field with application to phosphorene. NANO LETTERS, fe 2015( 2), 1222-1228. doi:10.1021/nl5043769
NLM
Liu Q, Zhang X, Zunger A, Abdalla LB, Fazzio A. Switching a normal insulator into a topological insulator via electric field with application to phosphorene [Internet]. NANO LETTERS. 2015 ; fe 2015( 2): 1222-1228.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1021/nl5043769
Vancouver
Liu Q, Zhang X, Zunger A, Abdalla LB, Fazzio A. Switching a normal insulator into a topological insulator via electric field with application to phosphorene [Internet]. NANO LETTERS. 2015 ; fe 2015( 2): 1222-1228.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1021/nl5043769
Artigo de periodico
Van der waals heterostructure of phosphorene and graphene: tuning the schottky barrier and doping by electrostatic gating (2015)
Padilha, J. E.; Fazzio, Adalberto ; Silva, Antonio Jose Roque da
Source: PHYSICAL REVIEW LETTERS. Unidade: IF
Subjects: ELETROSTÁTICA, ESTRUTURA ELETRÔNICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
PADILHA, J. E. e FAZZIO, Adalberto e SILVA, Antonio Jose Roque da. Van der waals heterostructure of phosphorene and graphene: tuning the schottky barrier and doping by electrostatic gating. PHYSICAL REVIEW LETTERS, v. fe 2015, n. 6, p. 066803, 2015Tradução . . Disponível em: https://doi.org/10.1103/PhysRevLett.114.066803. Acesso em: 08 nov. 2025.
APA
Padilha, J. E., Fazzio, A., & Silva, A. J. R. da. (2015). Van der waals heterostructure of phosphorene and graphene: tuning the schottky barrier and doping by electrostatic gating. PHYSICAL REVIEW LETTERS, fe 2015( 6), 066803. doi:10.1103/PhysRevLett.114.066803
NLM
Padilha JE, Fazzio A, Silva AJR da. Van der waals heterostructure of phosphorene and graphene: tuning the schottky barrier and doping by electrostatic gating [Internet]. PHYSICAL REVIEW LETTERS. 2015 ; fe 2015( 6): 066803.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1103/PhysRevLett.114.066803
Vancouver
Padilha JE, Fazzio A, Silva AJR da. Van der waals heterostructure of phosphorene and graphene: tuning the schottky barrier and doping by electrostatic gating [Internet]. PHYSICAL REVIEW LETTERS. 2015 ; fe 2015( 6): 066803.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1103/PhysRevLett.114.066803
Artigo de periodico
Experimental and theoretical investigations of electronic structure and photoluminescence properties of β‑Ag2MoO4 microcrystals (2014)
Gouveia, A. F.; Sczancoski, J. C.; Ferrer, M. M.; Lima, A. S.; Santos, M. R. M. C.; Siu Li, Máximo ; Santos, R. S.; Longo, E.; Cavalcante, L. S.
Source: Inorganic Chemistry. Unidade: IFSC
Subjects: ESTRUTURA ELETRÔNICA, FOTOLUMINESCÊNCIA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
GOUVEIA, A. F. et al. Experimental and theoretical investigations of electronic structure and photoluminescence properties of β‑Ag2MoO4 microcrystals. Inorganic Chemistry, v. 53, n. 11, p. 5589-5599, 2014Tradução . . Disponível em: https://doi.org/10.1021/ic500335x. Acesso em: 08 nov. 2025.
APA
Gouveia, A. F., Sczancoski, J. C., Ferrer, M. M., Lima, A. S., Santos, M. R. M. C., Siu Li, M., et al. (2014). Experimental and theoretical investigations of electronic structure and photoluminescence properties of β‑Ag2MoO4 microcrystals. Inorganic Chemistry, 53( 11), 5589-5599. doi:10.1021/ic500335x
NLM
Gouveia AF, Sczancoski JC, Ferrer MM, Lima AS, Santos MRMC, Siu Li M, Santos RS, Longo E, Cavalcante LS. Experimental and theoretical investigations of electronic structure and photoluminescence properties of β‑Ag2MoO4 microcrystals [Internet]. Inorganic Chemistry. 2014 ; 53( 11): 5589-5599.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1021/ic500335x
Vancouver
Gouveia AF, Sczancoski JC, Ferrer MM, Lima AS, Santos MRMC, Siu Li M, Santos RS, Longo E, Cavalcante LS. Experimental and theoretical investigations of electronic structure and photoluminescence properties of β‑Ag2MoO4 microcrystals [Internet]. Inorganic Chemistry. 2014 ; 53( 11): 5589-5599.[citado 2025 nov. 08 ] Available from: https://doi.org/10.1021/ic500335x

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