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  • Source: Book of Abstracts. Conference title: Encontro Ibérico de Fluidos Supercríticos/EIFS. Unidade: IQ

    Subjects: DIÓXIDO DE CARBONO, CATÁLISE

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    • ABNT

      VIDINHA, Pedro; FIGUEREDO, Adolfo Lopes de; COSTA, Carolina S; et al. Application of supercritical carbon dioxide in catalysis and in aerogel fabrication. Anais.. Coimbra: [s.n.], 2022.
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      Vidinha, P., Figueredo, A. L. de, Costa, C. S., Sanz, F. J. P., Lima, J. D. R. de, Gothe, M. L., et al. (2022). Application of supercritical carbon dioxide in catalysis and in aerogel fabrication. In Book of Abstracts. Coimbra.
    • NLM

      Vidinha P, Figueredo AL de, Costa CS, Sanz FJP, Lima JDR de, Gothe ML, Villegas Gómez ME, Braga AAC, Pereira CG, Rossi LM, Bazito RC. Application of supercritical carbon dioxide in catalysis and in aerogel fabrication. Book of Abstracts. 2022 ;
    • Vancouver

      Vidinha P, Figueredo AL de, Costa CS, Sanz FJP, Lima JDR de, Gothe ML, Villegas Gómez ME, Braga AAC, Pereira CG, Rossi LM, Bazito RC. Application of supercritical carbon dioxide in catalysis and in aerogel fabrication. Book of Abstracts. 2022 ;
  • Source: RSC-advances. Unidade: IQ

    Subjects: MATERIAIS ÓPTICOS, FIBRA ÓPTICA

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    • ABNT

      KHALID, Muhammad; ARSHAD, Muhammad Nadeem; MURTAZA, Shahzad; et al. Enriching NLO efficacy via designing non-fullerene molecules with the modification of acceptor moieties into ICIF2F: an emerging theoretical approach. RSC-advances, Cambridge, v. 12, p. 13412–13427, 2022. Disponível em: < https://dx.doi.org/10.1039/d2ra01127a > DOI: 10.1039/d2ra01127a.
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      Khalid, M., Arshad, M. N., Murtaza, S., Shafiq, I., Haroon, M., Asiri, A. M., et al. (2022). Enriching NLO efficacy via designing non-fullerene molecules with the modification of acceptor moieties into ICIF2F: an emerging theoretical approach. RSC-advances, 12, 13412–13427. doi:10.1039/d2ra01127a
    • NLM

      Khalid M, Arshad MN, Murtaza S, Shafiq I, Haroon M, Asiri AM, Morais SF de A, Braga AAC. Enriching NLO efficacy via designing non-fullerene molecules with the modification of acceptor moieties into ICIF2F: an emerging theoretical approach [Internet]. RSC-advances. 2022 ; 12 13412–13427.Available from: https://dx.doi.org/10.1039/d2ra01127a
    • Vancouver

      Khalid M, Arshad MN, Murtaza S, Shafiq I, Haroon M, Asiri AM, Morais SF de A, Braga AAC. Enriching NLO efficacy via designing non-fullerene molecules with the modification of acceptor moieties into ICIF2F: an emerging theoretical approach [Internet]. RSC-advances. 2022 ; 12 13412–13427.Available from: https://dx.doi.org/10.1039/d2ra01127a
  • Source: Computational and Theoretical Chemistry. Unidades: IQ, FFCLRP

    Subjects: CATALISADORES, COBRE

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    • ABNT

      DOMINGOS, Ivanna Gisele Rosenda; BATISTA, Ana Paula de Lima; BRAGA, Ataualpa Albert Carmo. Computational study of the boraformylation of allenes catalyzed by copper complexes. Computational and Theoretical Chemistry, Amsterdam, v. 1208, p. 1-8 art. 113575, 2022. Disponível em: < https://dx.doi.org/10.1016/j.comptc.2021.113575 > DOI: 10.1016/j.comptc.2021.113575.
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      Domingos, I. G. R., Batista, A. P. de L., & Braga, A. A. C. (2022). Computational study of the boraformylation of allenes catalyzed by copper complexes. Computational and Theoretical Chemistry, 1208, 1-8 art. 113575. doi:10.1016/j.comptc.2021.113575
    • NLM

      Domingos IGR, Batista AP de L, Braga AAC. Computational study of the boraformylation of allenes catalyzed by copper complexes [Internet]. Computational and Theoretical Chemistry. 2022 ; 1208 1-8 art. 113575.Available from: https://dx.doi.org/10.1016/j.comptc.2021.113575
    • Vancouver

      Domingos IGR, Batista AP de L, Braga AAC. Computational study of the boraformylation of allenes catalyzed by copper complexes [Internet]. Computational and Theoretical Chemistry. 2022 ; 1208 1-8 art. 113575.Available from: https://dx.doi.org/10.1016/j.comptc.2021.113575
  • Source: Journal of Molecular Structure. Unidades: IQ, FCF

    Subjects: TUBERCULOSE, FÁRMACOS

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    • ABNT

      PRIETO, Diego Campos; ARAUJO, Renan Vinicius de; LIMA, Sara de Souza; et al. Succinylated isoniazid potential prodrug: design of Experiments (DoE) for synthesis optimization and computational study of the reaction mechanism by DFT calculations. Journal of Molecular Structure, Amsterdam, v. 1254, p. 1-7 art. 132323, 2022. Disponível em: < https://dx.doi.org/10.1016/j.molstruc.2021.132323 > DOI: 10.1016/j.molstruc.2021.132323.
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      Prieto, D. C., Araujo, R. V. de, Lima, S. de S., Assad, F. Z., Grayson, S. M., Braga, A. A. C., et al. (2022). Succinylated isoniazid potential prodrug: design of Experiments (DoE) for synthesis optimization and computational study of the reaction mechanism by DFT calculations. Journal of Molecular Structure, 1254, 1-7 art. 132323. doi:10.1016/j.molstruc.2021.132323
    • NLM

      Prieto DC, Araujo RV de, Lima S de S, Assad FZ, Grayson SM, Braga AAC, Lourenço FR, Giarolla J. Succinylated isoniazid potential prodrug: design of Experiments (DoE) for synthesis optimization and computational study of the reaction mechanism by DFT calculations [Internet]. Journal of Molecular Structure. 2022 ; 1254 1-7 art. 132323.Available from: https://dx.doi.org/10.1016/j.molstruc.2021.132323
    • Vancouver

      Prieto DC, Araujo RV de, Lima S de S, Assad FZ, Grayson SM, Braga AAC, Lourenço FR, Giarolla J. Succinylated isoniazid potential prodrug: design of Experiments (DoE) for synthesis optimization and computational study of the reaction mechanism by DFT calculations [Internet]. Journal of Molecular Structure. 2022 ; 1254 1-7 art. 132323.Available from: https://dx.doi.org/10.1016/j.molstruc.2021.132323
  • Source: RSC Advances. Unidade: IQ

    Subjects: FULERENO, QUÍMICA QUÂNTICA

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    • ABNT

      ARSHAD, Muhammad Nadeem; KHALID, Muhammad; SHABBIR, Ghulam; et al. Donor moieties with D–π–a framing modulated electronic and nonlinear optical properties for nonfullerene- based chromophores. RSC Advances, Cambridge, v. 12, n. 7, p. 4209–4223, 2022. Disponível em: < https://dx.doi.org/10.1039/d1ra07183a > DOI: 10.1039/d1ra07183a.
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      Arshad, M. N., Khalid, M., shabbir, G., Mohammad Asad,, Asiri, A. M., Alotaibi, M. M., et al. (2022). Donor moieties with D–π–a framing modulated electronic and nonlinear optical properties for nonfullerene- based chromophores. RSC Advances, 12( 7), 4209–4223. doi:10.1039/d1ra07183a
    • NLM

      Arshad MN, Khalid M, shabbir G, Mohammad Asad, Asiri AM, Alotaibi MM, Braga AAC, Khan A. Donor moieties with D–π–a framing modulated electronic and nonlinear optical properties for nonfullerene- based chromophores [Internet]. RSC Advances. 2022 ; 12( 7): 4209–4223.Available from: https://dx.doi.org/10.1039/d1ra07183a
    • Vancouver

      Arshad MN, Khalid M, shabbir G, Mohammad Asad, Asiri AM, Alotaibi MM, Braga AAC, Khan A. Donor moieties with D–π–a framing modulated electronic and nonlinear optical properties for nonfullerene- based chromophores [Internet]. RSC Advances. 2022 ; 12( 7): 4209–4223.Available from: https://dx.doi.org/10.1039/d1ra07183a
  • Source: Molecular Catalysis. Unidade: IQ

    Subjects: OXIDAÇÃO, PALÁDIO, PERÓXIDO DE HIDROGÊNIO

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    • ABNT

      VIEIRA, Camila Grossi; ANGNES, Ricardo Almir; BRAGA, Ataualpa Albert Carmo; GUSEVSKAYA, Elena V; ROSSI, Liane Marcia. Palladium-catalyzed sabinene oxidation with hydrogen peroxide: Smart fragrance production and DFT insights. Molecular Catalysis, Amsterdam, v. 517, p. 1-8, 2022. Disponível em: < https://dx.doi.org/10.1016/j.mcat.2021.112033 > DOI: 10.1016/j.mcat.2021.112033.
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      Vieira, C. G., Angnes, R. A., Braga, A. A. C., Gusevskaya, E. V., & Rossi, L. M. (2022). Palladium-catalyzed sabinene oxidation with hydrogen peroxide: Smart fragrance production and DFT insights. Molecular Catalysis, 517, 1-8. doi:10.1016/j.mcat.2021.112033
    • NLM

      Vieira CG, Angnes RA, Braga AAC, Gusevskaya EV, Rossi LM. Palladium-catalyzed sabinene oxidation with hydrogen peroxide: Smart fragrance production and DFT insights [Internet]. Molecular Catalysis. 2022 ; 517 1-8.Available from: https://dx.doi.org/10.1016/j.mcat.2021.112033
    • Vancouver

      Vieira CG, Angnes RA, Braga AAC, Gusevskaya EV, Rossi LM. Palladium-catalyzed sabinene oxidation with hydrogen peroxide: Smart fragrance production and DFT insights [Internet]. Molecular Catalysis. 2022 ; 517 1-8.Available from: https://dx.doi.org/10.1016/j.mcat.2021.112033
  • Source: Arabian Journal of Chemistry. Unidade: IQ

    Subject: MATERIAIS ÓPTICOS

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    • ABNT

      KHAN, Muhammad Usman; KHALID, Muhammad; KHERA, Rasheed Ahmad; et al. Influence of acceptor tethering on the performance of nonlinear optical properties for pyrene-based materials with A-π-D-π-D architecture. Arabian Journal of Chemistry, Amsterdam, v. 15, p. 1-15 art. 103673, 2022. Disponível em: < https://dx.doi.org/10.1016/j.arabjc.2021.103673 > DOI: 10.1016/j.arabjc.2021.103673.
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      Khan, M. U., Khalid, M., Khera, R. A., Akhtar, M. N., Abbas, A., Rehman, M. F. ur, et al. (2022). Influence of acceptor tethering on the performance of nonlinear optical properties for pyrene-based materials with A-π-D-π-D architecture. Arabian Journal of Chemistry, 15, 1-15 art. 103673. doi:10.1016/j.arabjc.2021.103673
    • NLM

      Khan MU, Khalid M, Khera RA, Akhtar MN, Abbas A, Rehman MF ur, Braga AAC, Alam MM, Imran M, Yao Wang, Lu C. Influence of acceptor tethering on the performance of nonlinear optical properties for pyrene-based materials with A-π-D-π-D architecture [Internet]. Arabian Journal of Chemistry. 2022 ; 15 1-15 art. 103673.Available from: https://dx.doi.org/10.1016/j.arabjc.2021.103673
    • Vancouver

      Khan MU, Khalid M, Khera RA, Akhtar MN, Abbas A, Rehman MF ur, Braga AAC, Alam MM, Imran M, Yao Wang, Lu C. Influence of acceptor tethering on the performance of nonlinear optical properties for pyrene-based materials with A-π-D-π-D architecture [Internet]. Arabian Journal of Chemistry. 2022 ; 15 1-15 art. 103673.Available from: https://dx.doi.org/10.1016/j.arabjc.2021.103673
  • Source: ACS Omega. Unidade: IQ

    Subjects: PEPTÍDEOS, ESPECTROSCOPIA

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    • ABNT

      CONCEPCION, Odette; TORRE, Alexander F. de la; KHAN, Muhammad Usman; et al. Facile synthesis of diversely functionalized Peptoids, spectroscopic characterization, and DFT-Based nonlinear optical exploration. ACS Omega, Washington, v. 6, n. 40, p. 26016−26025, 2021. Disponível em: < https://dx.doi.org/10.1021/acsomega.1c02962 > DOI: 10.1021/acsomega.1c02962.
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      Concepcion, O., Torre, A. F. de la, Khan, M. U., Raza, A. R., Kamal, G. M., Rehman, M. F. ur, et al. (2021). Facile synthesis of diversely functionalized Peptoids, spectroscopic characterization, and DFT-Based nonlinear optical exploration. ACS Omega, 6( 40), 26016−26025. doi:10.1021/acsomega.1c02962
    • NLM

      Concepcion O, Torre AF de la, Khan MU, Raza AR, Kamal GM, Rehman MF ur, Alam MM, Imran M, Braga AAC, Pertino MW, Ali A, Khalid M. Facile synthesis of diversely functionalized Peptoids, spectroscopic characterization, and DFT-Based nonlinear optical exploration [Internet]. ACS Omega. 2021 ; 6( 40): 26016−26025.Available from: https://dx.doi.org/10.1021/acsomega.1c02962
    • Vancouver

      Concepcion O, Torre AF de la, Khan MU, Raza AR, Kamal GM, Rehman MF ur, Alam MM, Imran M, Braga AAC, Pertino MW, Ali A, Khalid M. Facile synthesis of diversely functionalized Peptoids, spectroscopic characterization, and DFT-Based nonlinear optical exploration [Internet]. ACS Omega. 2021 ; 6( 40): 26016−26025.Available from: https://dx.doi.org/10.1021/acsomega.1c02962
  • Source: ACS Omega. Unidade: IQ

    Subjects: MOLÉCULA, ESPECTROSCOPIA, ÓPTICA NÃO LINEAR, GEOMETRIA E MODELAGEM COMPUTACIONAL

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    • ABNT

      IMRAN, Muhammad; KHALID, Muhammad; JAWARIA, Rifat; et al. Exploration of photophysical and nonlinear properties of Salicylaldehyde-based functionalized materials: a facile synthetic and DFT approach. ACS Omega, Washingtom, v. 6, p. 33914−33922, 2021. Disponível em: < https://dx.doi.org/10.1021/acsomega.1c04984 > DOI: 10.1021/acsomega.1c04984.
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      Imran, M., Khalid, M., Jawaria, R., Ali, A., Asghar, M. A., Shafiq, Z., et al. (2021). Exploration of photophysical and nonlinear properties of Salicylaldehyde-based functionalized materials: a facile synthetic and DFT approach. ACS Omega, 6, 33914−33922. doi:10.1021/acsomega.1c04984
    • NLM

      Imran M, Khalid M, Jawaria R, Ali A, Asghar MA, Shafiq Z, Assiri MA, Lodhi HM, Braga AAC. Exploration of photophysical and nonlinear properties of Salicylaldehyde-based functionalized materials: a facile synthetic and DFT approach [Internet]. ACS Omega. 2021 ; 6 33914−33922.Available from: https://dx.doi.org/10.1021/acsomega.1c04984
    • Vancouver

      Imran M, Khalid M, Jawaria R, Ali A, Asghar MA, Shafiq Z, Assiri MA, Lodhi HM, Braga AAC. Exploration of photophysical and nonlinear properties of Salicylaldehyde-based functionalized materials: a facile synthetic and DFT approach [Internet]. ACS Omega. 2021 ; 6 33914−33922.Available from: https://dx.doi.org/10.1021/acsomega.1c04984
  • Unidade: IQ

    Subjects: RECEPTORES, MOLÉCULA

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    • ABNT

      ISLAM, Muhammad; SHAFIQ, Zahid; MABOOD, Fazal; et al. 2-Nitro- and 4-fluorocinnamaldehyde based receptors as naked-eye chemosensors to potential molecular keypad lock. , Berlin, v. 11, p. 1-24 art. 20847, 2021. Disponível em: < https://dx.doi.org/10.1038/s41598-021-99599-w > DOI: 10.1038/s41598-021-99599-w.
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      Islam, M., Shafiq, Z., Mabood, F., Shah, H. H., Singh, V., Khalid, M., et al. (2021). 2-Nitro- and 4-fluorocinnamaldehyde based receptors as naked-eye chemosensors to potential molecular keypad lock, 11, 1-24 art. 20847. doi:10.1038/s41598-021-99599-w
    • NLM

      Islam M, Shafiq Z, Mabood F, Shah HH, Singh V, Khalid M, Morais SF de A, Braga AAC, Khan MU, Hussain J, Al-Harrasi A, Marraiki N, Zaghloul NSS. 2-Nitro- and 4-fluorocinnamaldehyde based receptors as naked-eye chemosensors to potential molecular keypad lock [Internet]. 2021 ; 11 1-24 art. 20847.Available from: https://dx.doi.org/10.1038/s41598-021-99599-w
    • Vancouver

      Islam M, Shafiq Z, Mabood F, Shah HH, Singh V, Khalid M, Morais SF de A, Braga AAC, Khan MU, Hussain J, Al-Harrasi A, Marraiki N, Zaghloul NSS. 2-Nitro- and 4-fluorocinnamaldehyde based receptors as naked-eye chemosensors to potential molecular keypad lock [Internet]. 2021 ; 11 1-24 art. 20847.Available from: https://dx.doi.org/10.1038/s41598-021-99599-w
  • Source: Scientific Reports. Unidade: IQ

    Subjects: CÉLULAS SOLARES, COMPOSTOS ORGÂNICOS

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      KHALID, Muhammad; KHAN, Muhammad Usman; AHMED, Saeed; et al. Exploration of promising optical and electronic properties of (non-polymer) small donor molecules for organic solar cells. Scientific Reports, Berlin, v. 11, p. 1-15 art. 21540, 2021. Disponível em: < https://dx.doi.org/10.1038/s41598-021-01070-3 > DOI: 10.1038/s41598-021-01070-3.
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      Khalid, M., Khan, M. U., Ahmed, S., Shafiq, Z., Alam, M. M., Imran, M., et al. (2021). Exploration of promising optical and electronic properties of (non-polymer) small donor molecules for organic solar cells. Scientific Reports, 11, 1-15 art. 21540. doi:10.1038/s41598-021-01070-3
    • NLM

      Khalid M, Khan MU, Ahmed S, Shafiq Z, Alam MM, Imran M, Braga AAC, Akram MS. Exploration of promising optical and electronic properties of (non-polymer) small donor molecules for organic solar cells [Internet]. Scientific Reports. 2021 ; 11 1-15 art. 21540.Available from: https://dx.doi.org/10.1038/s41598-021-01070-3
    • Vancouver

      Khalid M, Khan MU, Ahmed S, Shafiq Z, Alam MM, Imran M, Braga AAC, Akram MS. Exploration of promising optical and electronic properties of (non-polymer) small donor molecules for organic solar cells [Internet]. Scientific Reports. 2021 ; 11 1-15 art. 21540.Available from: https://dx.doi.org/10.1038/s41598-021-01070-3
  • Unidade: IQ

    Subjects: REAÇÕES QUÍMICAS, CATÁLISE

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      QUILICI, Ana Luiza; BRAGA, Ataualpa Albert Carmo. Estudo mecanístico da reação de hidrocloração de alquinos não ativados: perspectiva com e sem complexos de ouro(I). 2021.Universidade de São Paulo, São Paulo, 2021. Disponível em: < https://www.teses.usp.br/teses/disponiveis/46/46136/tde-08112021-121410/ > DOI: https://doi.org/10.11606/D.46.2021.tde-08112021-121410.
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      Quilici, A. L., & Braga, A. A. C. (2021). Estudo mecanístico da reação de hidrocloração de alquinos não ativados: perspectiva com e sem complexos de ouro(I). Universidade de São Paulo, São Paulo. Recuperado de https://www.teses.usp.br/teses/disponiveis/46/46136/tde-08112021-121410/
    • NLM

      Quilici AL, Braga AAC. Estudo mecanístico da reação de hidrocloração de alquinos não ativados: perspectiva com e sem complexos de ouro(I) [Internet]. 2021 ;Available from: https://www.teses.usp.br/teses/disponiveis/46/46136/tde-08112021-121410/
    • Vancouver

      Quilici AL, Braga AAC. Estudo mecanístico da reação de hidrocloração de alquinos não ativados: perspectiva com e sem complexos de ouro(I) [Internet]. 2021 ;Available from: https://www.teses.usp.br/teses/disponiveis/46/46136/tde-08112021-121410/
  • Source: Scientific Reports. Unidade: IQ

    Subjects: CÉLULAS SOLARES, ENERGIA SOLAR

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      KHALID, Muhammad; MOMINA,; IMRAN, Muhammad; et al. Molecular engineering of indenoindene-3-ethylrodanine acceptors with A2-A1-D-A1-A2 architecture for promising fullerene-free organic solar cells. Scientific Reports, Berlin, v. 11, p. 1-15 art. 20320, 2021. Disponível em: < https://dx.doi.org/10.1038/s41598-021-99308-7 > DOI: 10.1038/s41598-021-99308-7.
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      Khalid, M., Momina,, Imran, M., Rehman, M. F. ur, Braga, A. A. C., & Akram, M. S. (2021). Molecular engineering of indenoindene-3-ethylrodanine acceptors with A2-A1-D-A1-A2 architecture for promising fullerene-free organic solar cells. Scientific Reports, 11, 1-15 art. 20320. doi:10.1038/s41598-021-99308-7
    • NLM

      Khalid M, Momina, Imran M, Rehman MF ur, Braga AAC, Akram MS. Molecular engineering of indenoindene-3-ethylrodanine acceptors with A2-A1-D-A1-A2 architecture for promising fullerene-free organic solar cells [Internet]. Scientific Reports. 2021 ; 11 1-15 art. 20320.Available from: https://dx.doi.org/10.1038/s41598-021-99308-7
    • Vancouver

      Khalid M, Momina, Imran M, Rehman MF ur, Braga AAC, Akram MS. Molecular engineering of indenoindene-3-ethylrodanine acceptors with A2-A1-D-A1-A2 architecture for promising fullerene-free organic solar cells [Internet]. Scientific Reports. 2021 ; 11 1-15 art. 20320.Available from: https://dx.doi.org/10.1038/s41598-021-99308-7
  • Source: Journal of Chemical Theory and Computation. Unidades: IQ, IQSC

    Subject: RESSONÂNCIA MAGNÉTICA NUCLEAR

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      OLIVEIRA, Marcelo T. de; ALVES, Júlia M.A.; BRAGA, Ataualpa Albert Carmo; WILSON, David J. D.; CRISTINA A. BARBOZA,. Do Double-Hybrid Exchange−Correlation Functionals Provide Accurate Chemical Shifts? A Benchmark Assessment for Proton NMR. Journal of Chemical Theory and Computation, Washington, v. 17, p. 6876-6885, 2021. Disponível em: < https://doi.org/10.1021/acs.jctc.1c00604 > DOI: 10.1021/acs.jctc.1c00604.
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      Oliveira, M. T. de, Alves, J. M. A., Braga, A. A. C., Wilson, D. J. D., & Cristina A. Barboza,. (2021). Do Double-Hybrid Exchange−Correlation Functionals Provide Accurate Chemical Shifts? A Benchmark Assessment for Proton NMR. Journal of Chemical Theory and Computation, 17, 6876-6885. doi:10.1021/acs.jctc.1c00604
    • NLM

      Oliveira MT de, Alves JMA, Braga AAC, Wilson DJD, Cristina A. Barboza. Do Double-Hybrid Exchange−Correlation Functionals Provide Accurate Chemical Shifts? A Benchmark Assessment for Proton NMR [Internet]. Journal of Chemical Theory and Computation. 2021 ;17 6876-6885.Available from: https://doi.org/10.1021/acs.jctc.1c00604
    • Vancouver

      Oliveira MT de, Alves JMA, Braga AAC, Wilson DJD, Cristina A. Barboza. Do Double-Hybrid Exchange−Correlation Functionals Provide Accurate Chemical Shifts? A Benchmark Assessment for Proton NMR [Internet]. Journal of Chemical Theory and Computation. 2021 ;17 6876-6885.Available from: https://doi.org/10.1021/acs.jctc.1c00604
  • Source: Journal of Molecular Structure. Unidades: IQ, IQSC

    Subjects: QUÍMICA ORGÂNICA, SÍNTESE ORGÂNICA

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      KHALID, Muhammad; KHAN, Muhammad Usman; TAHIR, Muhammad Nawaz; et al. Non-covalent interactions abetted supramolecular arrangements of N -Substitute d b enzylidene acetohydrazide to direct its solid-state network. Journal of Molecular Structure, Amsterdam, v. 1230 p. 129827, 2021. Disponível em: < https://doi.org/10.1016/j.molstruc.2020.129827 > DOI: 10.1016/j.molstruc.2020.129827.
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      Khalid, M., Khan, M. U., Tahir, M. N., Ahmad, A., Ashfaq, M., Hussain, R., et al. (2021). Non-covalent interactions abetted supramolecular arrangements of N -Substitute d b enzylidene acetohydrazide to direct its solid-state network. Journal of Molecular Structure, 1230 p. 129827. doi:10.1016/j.molstruc.2020.129827
    • NLM

      Khalid M, Khan MU, Tahir MN, Ahmad A, Ashfaq M, Hussain R, Morais SF de A, Braga AAC, Ali A. Non-covalent interactions abetted supramolecular arrangements of N -Substitute d b enzylidene acetohydrazide to direct its solid-state network [Internet]. Journal of Molecular Structure. 2021 ; 1230 p. 129827Available from: https://doi.org/10.1016/j.molstruc.2020.129827
    • Vancouver

      Khalid M, Khan MU, Tahir MN, Ahmad A, Ashfaq M, Hussain R, Morais SF de A, Braga AAC, Ali A. Non-covalent interactions abetted supramolecular arrangements of N -Substitute d b enzylidene acetohydrazide to direct its solid-state network [Internet]. Journal of Molecular Structure. 2021 ; 1230 p. 129827Available from: https://doi.org/10.1016/j.molstruc.2020.129827
  • Source: Analyst. Unidade: IQ

    Subjects: COCAÍNA, ANESTÉSICOS, VOLTAMETRIA, ELETROANÁLISE

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      GROTHE, Renata A; MALDANER, Adriano Otavio; ALDOUS, Leigh; et al. Electroanalytical profiling of cocaine samples by means of an electropolymerized molecularly imprinted polymer using benzocaine as the template molecule. Analyst, Cambridge, v. 146, n. 5, p. 747-1759 : + Supplementary materials ( S1-S42), 2021. Disponível em: < http://dx.doi.org/10.1039/d0an02274h > DOI: 10.1039/d0an02274h.
    • APA

      Grothe, R. A., Maldaner, A. O., Aldous, L., Paixão, T. R. L. C. da, Gonçalves, L. M., Lobato, A. C. B., et al. (2021). Electroanalytical profiling of cocaine samples by means of an electropolymerized molecularly imprinted polymer using benzocaine as the template molecule. Analyst, 146( 5), 747-1759 : + Supplementary materials ( S1-S42). doi:10.1039/d0an02274h
    • NLM

      Grothe RA, Maldaner AO, Aldous L, Paixão TRLC da, Gonçalves LM, Lobato ACB, Mounssef Junior B, Tasić N, Braga AAC. Electroanalytical profiling of cocaine samples by means of an electropolymerized molecularly imprinted polymer using benzocaine as the template molecule [Internet]. Analyst. 2021 ; 146( 5): 747-1759 : + Supplementary materials ( S1-S42).Available from: http://dx.doi.org/10.1039/d0an02274h
    • Vancouver

      Grothe RA, Maldaner AO, Aldous L, Paixão TRLC da, Gonçalves LM, Lobato ACB, Mounssef Junior B, Tasić N, Braga AAC. Electroanalytical profiling of cocaine samples by means of an electropolymerized molecularly imprinted polymer using benzocaine as the template molecule [Internet]. Analyst. 2021 ; 146( 5): 747-1759 : + Supplementary materials ( S1-S42).Available from: http://dx.doi.org/10.1039/d0an02274h
  • Source: Physical Chemistry Chemical Physics. Unidades: IQ, FFCLRP

    Subjects: HIDROGÊNIO, ADSORÇÃO, MINERAIS

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      MOUNSSEF JUNIOR, Bassim; MORAIS, Sara Figueirêdo de Alcântara; BATISTA, Ana Paula de Lima; LIMA, Lucas Welington de; BRAGA, Ataualpa Albert Carmo. DFT study of H2 adsorption at a Cu-SSZ-13 zeolite: a cluster approach. Physical Chemistry Chemical Physics, Cambridge, v. 23, p. 1-11 art. 9980–9990 : + Supplementary materials ( S1-S11), 2021. Disponível em: < https://dx.doi.org/: 10.1039/d1cp00422k > DOI: 10.1039/d1cp00422k.
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      Mounssef Junior, B., Morais, S. F. de A., Batista, A. P. de L., Lima, L. W. de, & Braga, A. A. C. (2021). DFT study of H2 adsorption at a Cu-SSZ-13 zeolite: a cluster approach. Physical Chemistry Chemical Physics, 23, 1-11 art. 9980–9990 : + Supplementary materials ( S1-S11). doi:10.1039/d1cp00422k
    • NLM

      Mounssef Junior B, Morais SF de A, Batista AP de L, Lima LW de, Braga AAC. DFT study of H2 adsorption at a Cu-SSZ-13 zeolite: a cluster approach [Internet]. Physical Chemistry Chemical Physics. 2021 ; 23 1-11 art. 9980–9990 : + Supplementary materials ( S1-S11).Available from: https://dx.doi.org/: 10.1039/d1cp00422k
    • Vancouver

      Mounssef Junior B, Morais SF de A, Batista AP de L, Lima LW de, Braga AAC. DFT study of H2 adsorption at a Cu-SSZ-13 zeolite: a cluster approach [Internet]. Physical Chemistry Chemical Physics. 2021 ; 23 1-11 art. 9980–9990 : + Supplementary materials ( S1-S11).Available from: https://dx.doi.org/: 10.1039/d1cp00422k
  • Source: Journal of Molecular Structure. Unidade: IQ

    Subject: COMPOSTOS HETEROCÍCLICOS

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      PASHA, Anam Rubbab; KHALID, Muhammad; SHAFIQ, Zahid; et al. A comprehensive study of structural, non-covalent interactions and electronic insights into N-aryl substituted thiosemicarbazones via SC-XRD and first-principles DFT approach. Journal of Molecular Structure, Amsterdam, v. 1230, p. 1-11 art. 129852, 2021. Disponível em: < http://dx.doi.org/10.1016/j.molstruc.2020.129852 > DOI: 10.1016/j.molstruc.2020.129852.
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      Pasha, A. R., Khalid, M., Shafiq, Z., Khan, M. U., Naseer, M. M., Tahir, M. N., et al. (2021). A comprehensive study of structural, non-covalent interactions and electronic insights into N-aryl substituted thiosemicarbazones via SC-XRD and first-principles DFT approach. Journal of Molecular Structure, 1230, 1-11 art. 129852. doi:10.1016/j.molstruc.2020.129852
    • NLM

      Pasha AR, Khalid M, Shafiq Z, Khan MU, Naseer MM, Tahir MN, Hussain R, Braga AAC, Jawaria R. A comprehensive study of structural, non-covalent interactions and electronic insights into N-aryl substituted thiosemicarbazones via SC-XRD and first-principles DFT approach [Internet]. Journal of Molecular Structure. 2021 ; 1230 1-11 art. 129852.Available from: http://dx.doi.org/10.1016/j.molstruc.2020.129852
    • Vancouver

      Pasha AR, Khalid M, Shafiq Z, Khan MU, Naseer MM, Tahir MN, Hussain R, Braga AAC, Jawaria R. A comprehensive study of structural, non-covalent interactions and electronic insights into N-aryl substituted thiosemicarbazones via SC-XRD and first-principles DFT approach [Internet]. Journal of Molecular Structure. 2021 ; 1230 1-11 art. 129852.Available from: http://dx.doi.org/10.1016/j.molstruc.2020.129852
  • Source: ACS Omega. Unidade: IQ

    Subjects: ÓPTICA NÃO LINEAR, ESPECTROSCOPIA ÓPTICA

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      KHALID, Muhammad; JAWARIA, Rifat; KHAN, Muhammad Usman; et al. An efficient synthesis, spectroscopic characterization, and optical nonlinearity response of novel salicylaldehyde thiosemicarbazone derivatives. ACS Omega, Washington, v. 6, n. 24 p. 16058–16065, 2021. Disponível em: < https://dx.doi.org/10.1021/acsomega.1c01938 > DOI: 10.1021/acsomega.1c01938.
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      Khalid, M., Jawaria, R., Khan, M. U., Braga, A. A. C., Shafiq, Z., Imran, M., et al. (2021). An efficient synthesis, spectroscopic characterization, and optical nonlinearity response of novel salicylaldehyde thiosemicarbazone derivatives. ACS Omega, 6( 24 p. 16058–16065). doi:10.1021/acsomega.1c01938
    • NLM

      Khalid M, Jawaria R, Khan MU, Braga AAC, Shafiq Z, Imran M, Zafar HMA, Irfan A. An efficient synthesis, spectroscopic characterization, and optical nonlinearity response of novel salicylaldehyde thiosemicarbazone derivatives [Internet]. ACS Omega. 2021 ; 6( 24 p. 16058–16065):Available from: https://dx.doi.org/10.1021/acsomega.1c01938
    • Vancouver

      Khalid M, Jawaria R, Khan MU, Braga AAC, Shafiq Z, Imran M, Zafar HMA, Irfan A. An efficient synthesis, spectroscopic characterization, and optical nonlinearity response of novel salicylaldehyde thiosemicarbazone derivatives [Internet]. ACS Omega. 2021 ; 6( 24 p. 16058–16065):Available from: https://dx.doi.org/10.1021/acsomega.1c01938
  • Source: Nanomaterials. Unidade: IQ

    Subjects: NANOTUBOS, NANOPARTÍCULAS, PRATA, CARBONO, QUÍMICA ANALÍTICA, QUÍMICA FORÊNSICA

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    • ABNT

      COUTO, Rosa A. S; COELHO, Constantino; MOUNSSEF JUNIOR, Bassim; et al. 3,4-Methylenedioxypyrovalerone (MDPV) sensing based on electropolymerized molecularly imprinted polymers on silver nanoparticles and carboxylated multi-walled carbon nanotubes. Nanomaterials, Basel, v. 11, p. 1-18 art. 353 : + Supplementary materials ( S1-S5), 2021. Disponível em: < http://dx.doi.org/10.3390/nano11020353 > DOI: 10.3390/nano11020353.
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      Couto, R. A. S., Coelho, C., Mounssef Junior, B., Morais, S. F. de A., Lima, C. D., Santos, W. T. P. dos, et al. (2021). 3,4-Methylenedioxypyrovalerone (MDPV) sensing based on electropolymerized molecularly imprinted polymers on silver nanoparticles and carboxylated multi-walled carbon nanotubes. Nanomaterials, 11, 1-18 art. 353 : + Supplementary materials ( S1-S5). doi:10.3390/nano11020353
    • NLM

      Couto RAS, Coelho C, Mounssef Junior B, Morais SF de A, Lima CD, Santos WTP dos, Carvalho F, Rodrigues CMP, Braga AAC, Gonçalves LM, Quinaz MB. 3,4-Methylenedioxypyrovalerone (MDPV) sensing based on electropolymerized molecularly imprinted polymers on silver nanoparticles and carboxylated multi-walled carbon nanotubes [Internet]. Nanomaterials. 2021 ; 11 1-18 art. 353 : + Supplementary materials ( S1-S5).Available from: http://dx.doi.org/10.3390/nano11020353
    • Vancouver

      Couto RAS, Coelho C, Mounssef Junior B, Morais SF de A, Lima CD, Santos WTP dos, Carvalho F, Rodrigues CMP, Braga AAC, Gonçalves LM, Quinaz MB. 3,4-Methylenedioxypyrovalerone (MDPV) sensing based on electropolymerized molecularly imprinted polymers on silver nanoparticles and carboxylated multi-walled carbon nanotubes [Internet]. Nanomaterials. 2021 ; 11 1-18 art. 353 : + Supplementary materials ( S1-S5).Available from: http://dx.doi.org/10.3390/nano11020353

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