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  • Artigo de periodico

    Exploration the effect of selenophene moiety and benzothiophene based acceptors on optical nonlinearity of D–π–A based heterocyclic organic compounds in chloroform solvent: a DFT approach (2024)

    Shafiq, Iqra ; Braga, Ataualpa Albert Carmo ; Tariq, Zara; Alhokbany, Norah ; Chen, Ke

    Fonte: Journal of Molecular Liquids. Unidade: IQ

    Assuntos: FULERENO, COMPOSTOS ORGÂNICOS, COMPOSTOS HETEROCÍCLICOS

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    • ABNT

      SHAFIQ, Iqra et al. Exploration the effect of selenophene moiety and benzothiophene based acceptors on optical nonlinearity of D–π–A based heterocyclic organic compounds in chloroform solvent: a DFT approach. Journal of Molecular Liquids, v. 393, p. 1-17 art. 123569, 2024Tradução . . Disponível em: https://dx.doi.org/10.1016/j.molliq.2023.123569. Acesso em: 18 abr. 2024.

    • APA

      Shafiq, I., Braga, A. A. C., Tariq, Z., Alhokbany, N., & Chen, K. (2024). Exploration the effect of selenophene moiety and benzothiophene based acceptors on optical nonlinearity of D–π–A based heterocyclic organic compounds in chloroform solvent: a DFT approach. Journal of Molecular Liquids, 393, 1-17 art. 123569. doi:10.1016/j.molliq.2023.123569

    • NLM

      Shafiq I, Braga AAC, Tariq Z, Alhokbany N, Chen K. Exploration the effect of selenophene moiety and benzothiophene based acceptors on optical nonlinearity of D–π–A based heterocyclic organic compounds in chloroform solvent: a DFT approach [Internet]. Journal of Molecular Liquids. 2024 ; 393 1-17 art. 123569.[citado 2024 abr. 18 ] Available from: https://dx.doi.org/10.1016/j.molliq.2023.123569

    • Vancouver

      Shafiq I, Braga AAC, Tariq Z, Alhokbany N, Chen K. Exploration the effect of selenophene moiety and benzothiophene based acceptors on optical nonlinearity of D–π–A based heterocyclic organic compounds in chloroform solvent: a DFT approach [Internet]. Journal of Molecular Liquids. 2024 ; 393 1-17 art. 123569.[citado 2024 abr. 18 ] Available from: https://dx.doi.org/10.1016/j.molliq.2023.123569

  • Artigo de periodico

    Influence of acceptors on the optical nonlinearity of 5H-4-oxa-1,6,9-trithia-cyclopenta[b]-as-indacene-based chromophores with a push–pull assembly: a DFT approach (2024)

    Khalid, Muhammad ; Murtaza, Shahzad; Gull, Khansa; Abid, Saba; Imran, Muhammad ; Braga, Ataualpa Albert Carmo

    Fonte: RSC Advances. Unidade: IQ

    Assuntos: ÓPTICA NÃO LINEAR, FIBRA ÓPTICA

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    • ABNT

      KHALID, Muhammad et al. Influence of acceptors on the optical nonlinearity of 5H-4-oxa-1,6,9-trithia-cyclopenta[b]-as-indacene-based chromophores with a push–pull assembly: a DFT approach. RSC Advances, v. 14, p. 1169–1185, 2024Tradução . . Disponível em: https://dx.doi.org/10.1039/d3ra06673h. Acesso em: 18 abr. 2024.

    • APA

      Khalid, M., Murtaza, S., Gull, K., Abid, S., Imran, M., & Braga, A. A. C. (2024). Influence of acceptors on the optical nonlinearity of 5H-4-oxa-1,6,9-trithia-cyclopenta[b]-as-indacene-based chromophores with a push–pull assembly: a DFT approach. RSC Advances, 14, 1169–1185. doi:10.1039/d3ra06673h

    • NLM

      Khalid M, Murtaza S, Gull K, Abid S, Imran M, Braga AAC. Influence of acceptors on the optical nonlinearity of 5H-4-oxa-1,6,9-trithia-cyclopenta[b]-as-indacene-based chromophores with a push–pull assembly: a DFT approach [Internet]. RSC Advances. 2024 ; 14 1169–1185.[citado 2024 abr. 18 ] Available from: https://dx.doi.org/10.1039/d3ra06673h

    • Vancouver

      Khalid M, Murtaza S, Gull K, Abid S, Imran M, Braga AAC. Influence of acceptors on the optical nonlinearity of 5H-4-oxa-1,6,9-trithia-cyclopenta[b]-as-indacene-based chromophores with a push–pull assembly: a DFT approach [Internet]. RSC Advances. 2024 ; 14 1169–1185.[citado 2024 abr. 18 ] Available from: https://dx.doi.org/10.1039/d3ra06673h

  • Artigo de periodico

    Theoretical expedition for enhancing photovoltaic performance: DFT investigation of benzo[c][1,2,5] thiadiazole-based scaffolds for organic solar cells (2024)

    Khalid, Muhammad ; Sagir, Muhammad; Zahid, Muhammad; Morais, Sara Figueirêdo de Alcântara ; Saqib, Muhammad ; Ullah, Sami; Munawar, Khurram Shahzad ; Braga, Ataualpa Albert Carmo ; Assiri, Mohammed Ali

    Fonte: Industrial and Engineering Chemistry Research. Unidade: IQ

    Assuntos: ENERGIA ELÉTRICA, MOLÉCULA, ENERGIA SOLAR

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    • ABNT

      KHALID, Muhammad et al. Theoretical expedition for enhancing photovoltaic performance: DFT investigation of benzo[c][1,2,5] thiadiazole-based scaffolds for organic solar cells. Industrial and Engineering Chemistry Research, v. 63, n. 6, p. 2726–2739, 2024Tradução . . Disponível em: https://dx.doi.org/10.1021/acs.iecr.3c04133. Acesso em: 18 abr. 2024.

    • APA

      Khalid, M., Sagir, M., Zahid, M., Morais, S. F. de A., Saqib, M., Ullah, S., et al. (2024). Theoretical expedition for enhancing photovoltaic performance: DFT investigation of benzo[c][1,2,5] thiadiazole-based scaffolds for organic solar cells. Industrial and Engineering Chemistry Research, 63( 6), 2726–2739. doi:10.1021/acs.iecr.3c04133

    • NLM

      Khalid M, Sagir M, Zahid M, Morais SF de A, Saqib M, Ullah S, Munawar KS, Braga AAC, Assiri MA. Theoretical expedition for enhancing photovoltaic performance: DFT investigation of benzo[c][1,2,5] thiadiazole-based scaffolds for organic solar cells [Internet]. Industrial and Engineering Chemistry Research. 2024 ; 63( 6): 2726–2739.[citado 2024 abr. 18 ] Available from: https://dx.doi.org/10.1021/acs.iecr.3c04133

    • Vancouver

      Khalid M, Sagir M, Zahid M, Morais SF de A, Saqib M, Ullah S, Munawar KS, Braga AAC, Assiri MA. Theoretical expedition for enhancing photovoltaic performance: DFT investigation of benzo[c][1,2,5] thiadiazole-based scaffolds for organic solar cells [Internet]. Industrial and Engineering Chemistry Research. 2024 ; 63( 6): 2726–2739.[citado 2024 abr. 18 ] Available from: https://dx.doi.org/10.1021/acs.iecr.3c04133

  • Artigo de periodico

    Improved the optical nonlinearity of carbazole based chromophores via molecular engineering: a DFT approach (2024)

    Khalid, Muhammad; Yasmeen, Sidra; Ahmed, Sarfraz ; Asghar, Muhammad Adnan; Imran, Muhammad; Braga, Ataualpa Albert Carmo ; Ojha, Suvash Chandra

    Fonte: Arabian Journal of Chemistry. Unidade: IQ

    Assuntos: ENGENHARIA, MATERIAIS ÓPTICOS

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    • ABNT

      KHALID, Muhammad et al. Improved the optical nonlinearity of carbazole based chromophores via molecular engineering: a DFT approach. Arabian Journal of Chemistry, v. 17, p. 1-11 art. 105753, 2024Tradução . . Disponível em: https://dx.doi.org/10.1016/j.arabjc.2024.105753. Acesso em: 18 abr. 2024.

    • APA

      Khalid, M., Yasmeen, S., Ahmed, S., Asghar, M. A., Imran, M., Braga, A. A. C., & Ojha, S. C. (2024). Improved the optical nonlinearity of carbazole based chromophores via molecular engineering: a DFT approach. Arabian Journal of Chemistry, 17, 1-11 art. 105753. doi:10.1016/j.arabjc.2024.105753

    • NLM

      Khalid M, Yasmeen S, Ahmed S, Asghar MA, Imran M, Braga AAC, Ojha SC. Improved the optical nonlinearity of carbazole based chromophores via molecular engineering: a DFT approach [Internet]. Arabian Journal of Chemistry. 2024 ; 17 1-11 art. 105753.[citado 2024 abr. 18 ] Available from: https://dx.doi.org/10.1016/j.arabjc.2024.105753

    • Vancouver

      Khalid M, Yasmeen S, Ahmed S, Asghar MA, Imran M, Braga AAC, Ojha SC. Improved the optical nonlinearity of carbazole based chromophores via molecular engineering: a DFT approach [Internet]. Arabian Journal of Chemistry. 2024 ; 17 1-11 art. 105753.[citado 2024 abr. 18 ] Available from: https://dx.doi.org/10.1016/j.arabjc.2024.105753

  • Artigo de periodico

    Exploration of photovoltaic properties towards efficient organic solar cells for Thieno[3,2-b]thiophene fused naphthalene core based acceptor derivatives (2024)

    Khalid, Muhammad; Mustafa, Ayesha; Braga, Ataualpa Albert Carmo; Asghar, Muhammad Adnan; Raza, Nadeem; Khairy, Mohamed

    Fonte: Journal of Photochemistry & Photobiology A. Unidade: IQ

    Assuntos: CÉLULAS SOLARES, ÓPTICA ELETRÔNICA

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    • ABNT

      KHALID, Muhammad et al. Exploration of photovoltaic properties towards efficient organic solar cells for Thieno[3,2-b]thiophene fused naphthalene core based acceptor derivatives. Journal of Photochemistry & Photobiology A, v. 447, p. 1-14 art. 115279, 2024Tradução . . Disponível em: https://dx.doi.org/10.1016/j.jphotochem.2023.115279. Acesso em: 18 abr. 2024.

    • APA

      Khalid, M., Mustafa, A., Braga, A. A. C., Asghar, M. A., Raza, N., & Khairy, M. (2024). Exploration of photovoltaic properties towards efficient organic solar cells for Thieno[3,2-b]thiophene fused naphthalene core based acceptor derivatives. Journal of Photochemistry & Photobiology A, 447, 1-14 art. 115279. doi:10.1016/j.jphotochem.2023.115279

    • NLM

      Khalid M, Mustafa A, Braga AAC, Asghar MA, Raza N, Khairy M. Exploration of photovoltaic properties towards efficient organic solar cells for Thieno[3,2-b]thiophene fused naphthalene core based acceptor derivatives [Internet]. Journal of Photochemistry & Photobiology A. 2024 ; 447 1-14 art. 115279.[citado 2024 abr. 18 ] Available from: https://dx.doi.org/10.1016/j.jphotochem.2023.115279

    • Vancouver

      Khalid M, Mustafa A, Braga AAC, Asghar MA, Raza N, Khairy M. Exploration of photovoltaic properties towards efficient organic solar cells for Thieno[3,2-b]thiophene fused naphthalene core based acceptor derivatives [Internet]. Journal of Photochemistry & Photobiology A. 2024 ; 447 1-14 art. 115279.[citado 2024 abr. 18 ] Available from: https://dx.doi.org/10.1016/j.jphotochem.2023.115279

  • Artigo de periodico

    V-shaped naphthalene diimide-based chromophores: First theoretical framework for designing high efficacy of organic solar cells (2024)

    Khalid, Muhammad; Shafiq, Iqra ; Imran, Muhammad ; Jawaria, Rifat; Braga, Ataualpa Albert Carmo

    Fonte: Synthetic Metals. Unidade: IQ

    Assuntos: CÉLULAS SOLARES, ELÉTRONS

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      KHALID, Muhammad et al. V-shaped naphthalene diimide-based chromophores: First theoretical framework for designing high efficacy of organic solar cells. Synthetic Metals, v. 303, p. 1-10 art. 117548, 2024Tradução . . Disponível em: https://dx.doi.org/10.1016/j.synthmet.2024.117548. Acesso em: 18 abr. 2024.

    • APA

      Khalid, M., Shafiq, I., Imran, M., Jawaria, R., & Braga, A. A. C. (2024). V-shaped naphthalene diimide-based chromophores: First theoretical framework for designing high efficacy of organic solar cells. Synthetic Metals, 303, 1-10 art. 117548. doi:10.1016/j.synthmet.2024.117548

    • NLM

      Khalid M, Shafiq I, Imran M, Jawaria R, Braga AAC. V-shaped naphthalene diimide-based chromophores: First theoretical framework for designing high efficacy of organic solar cells [Internet]. Synthetic Metals. 2024 ; 303 1-10 art. 117548.[citado 2024 abr. 18 ] Available from: https://dx.doi.org/10.1016/j.synthmet.2024.117548

    • Vancouver

      Khalid M, Shafiq I, Imran M, Jawaria R, Braga AAC. V-shaped naphthalene diimide-based chromophores: First theoretical framework for designing high efficacy of organic solar cells [Internet]. Synthetic Metals. 2024 ; 303 1-10 art. 117548.[citado 2024 abr. 18 ] Available from: https://dx.doi.org/10.1016/j.synthmet.2024.117548

  • Artigo de periodico

    Enhancing the photovoltaic properties via incorporation of selenophene units in organic chromophores with A2-π2-A1-π1-A2 configuration: a DFT-based exploration (2023)

    Arshad, Muhammad Nadeem ; Shafiq, Iqra ; Khalid, Muhammad ; Asad, Mohammad; Asiri, Abdullah M ; Alotaibi, Maha M; Braga, Ataualpa Albert Carmo ; Khan, Anish ; Alamry, Khalid A

    Fonte: Polymers. Unidade: IQ

    Assuntos: CÉLULAS SOLARES, CONVERSÃO DE ENERGIA ELÉTRICA

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    • ABNT

      ARSHAD, Muhammad Nadeem et al. Enhancing the photovoltaic properties via incorporation of selenophene units in organic chromophores with A2-π2-A1-π1-A2 configuration: a DFT-based exploration. Polymers, v. 15, p. 19 art. 1508, 2023Tradução . . Disponível em: https://doi.org/10.3390/polym15061508. Acesso em: 18 abr. 2024.

    • APA

      Arshad, M. N., Shafiq, I., Khalid, M., Asad, M., Asiri, A. M., Alotaibi, M. M., et al. (2023). Enhancing the photovoltaic properties via incorporation of selenophene units in organic chromophores with A2-π2-A1-π1-A2 configuration: a DFT-based exploration. Polymers, 15, 19 art. 1508. doi:10.3390/polym15061508

    • NLM

      Arshad MN, Shafiq I, Khalid M, Asad M, Asiri AM, Alotaibi MM, Braga AAC, Khan A, Alamry KA. Enhancing the photovoltaic properties via incorporation of selenophene units in organic chromophores with A2-π2-A1-π1-A2 configuration: a DFT-based exploration [Internet]. Polymers. 2023 ; 15 19 art. 1508.[citado 2024 abr. 18 ] Available from: https://doi.org/10.3390/polym15061508

    • Vancouver

      Arshad MN, Shafiq I, Khalid M, Asad M, Asiri AM, Alotaibi MM, Braga AAC, Khan A, Alamry KA. Enhancing the photovoltaic properties via incorporation of selenophene units in organic chromophores with A2-π2-A1-π1-A2 configuration: a DFT-based exploration [Internet]. Polymers. 2023 ; 15 19 art. 1508.[citado 2024 abr. 18 ] Available from: https://doi.org/10.3390/polym15061508

  • Artigo de periodico

    A theoretical approach towards designing of banana shaped non‑fullerene chromophores using efficient acceptors moieties: exploration of their NLO response properties (2023)

    Khalid, Muhammad ; Naseer, Samran; Tahir, Muhammad Suleman; Shafiq, Iqra ; Munawar, Khurram Shahzad ; Morais, Sara Figueirêdo de Alcântara ; Braga, Ataualpa Albert Carmo

    Fonte: Optical and Quantum Electronics. Unidade: IQ

    Assunto: MATERIAIS ÓPTICOS

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    • ABNT

      KHALID, Muhammad et al. A theoretical approach towards designing of banana shaped non‑fullerene chromophores using efficient acceptors moieties: exploration of their NLO response properties. Optical and Quantum Electronics, v. 55, p. 1-23, 2023Tradução . . Disponível em: https://doi.org/10.1007/s11082-022-04441-w. Acesso em: 18 abr. 2024.

    • APA

      Khalid, M., Naseer, S., Tahir, M. S., Shafiq, I., Munawar, K. S., Morais, S. F. de A., & Braga, A. A. C. (2023). A theoretical approach towards designing of banana shaped non‑fullerene chromophores using efficient acceptors moieties: exploration of their NLO response properties. Optical and Quantum Electronics, 55, 1-23. doi:10.1007/s11082-022-04441-w

    • NLM

      Khalid M, Naseer S, Tahir MS, Shafiq I, Munawar KS, Morais SF de A, Braga AAC. A theoretical approach towards designing of banana shaped non‑fullerene chromophores using efficient acceptors moieties: exploration of their NLO response properties [Internet]. Optical and Quantum Electronics. 2023 ; 55 1-23.[citado 2024 abr. 18 ] Available from: https://doi.org/10.1007/s11082-022-04441-w

    • Vancouver

      Khalid M, Naseer S, Tahir MS, Shafiq I, Munawar KS, Morais SF de A, Braga AAC. A theoretical approach towards designing of banana shaped non‑fullerene chromophores using efficient acceptors moieties: exploration of their NLO response properties [Internet]. Optical and Quantum Electronics. 2023 ; 55 1-23.[citado 2024 abr. 18 ] Available from: https://doi.org/10.1007/s11082-022-04441-w

  • Artigo de periodico

    The impact of structural modifications into benzodithiophene compounds on electronic and optical properties for organic solar cells (2023)

    Shafiq, Iqra ; Khalid, Muhammad; Muneer, Malaika; Asghar, Muhammad Adnan ; Baby, Rabia; Ahmed, Sarfraz ; Ahamad, Tansir; Morais, Sara Figueirêdo de Alcântara ; Braga, Ataualpa Albert Carmo

    Fonte: Materials Chemistry and Physics. Unidade: IQ

    Assuntos: CÉLULAS SOLARES, PROPRIEDADES ÓPTICAS DA SOLUÇÃO, FULERENO

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      SHAFIQ, Iqra et al. The impact of structural modifications into benzodithiophene compounds on electronic and optical properties for organic solar cells. Materials Chemistry and Physics, v. 308, p. 1-13 art. 128154, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.matchemphys.2023.128154. Acesso em: 18 abr. 2024.

    • APA

      Shafiq, I., Khalid, M., Muneer, M., Asghar, M. A., Baby, R., Ahmed, S., et al. (2023). The impact of structural modifications into benzodithiophene compounds on electronic and optical properties for organic solar cells. Materials Chemistry and Physics, 308, 1-13 art. 128154. doi:10.1016/j.matchemphys.2023.128154

    • NLM

      Shafiq I, Khalid M, Muneer M, Asghar MA, Baby R, Ahmed S, Ahamad T, Morais SF de A, Braga AAC. The impact of structural modifications into benzodithiophene compounds on electronic and optical properties for organic solar cells [Internet]. Materials Chemistry and Physics. 2023 ; 308 1-13 art. 128154.[citado 2024 abr. 18 ] Available from: https://doi.org/10.1016/j.matchemphys.2023.128154

    • Vancouver

      Shafiq I, Khalid M, Muneer M, Asghar MA, Baby R, Ahmed S, Ahamad T, Morais SF de A, Braga AAC. The impact of structural modifications into benzodithiophene compounds on electronic and optical properties for organic solar cells [Internet]. Materials Chemistry and Physics. 2023 ; 308 1-13 art. 128154.[citado 2024 abr. 18 ] Available from: https://doi.org/10.1016/j.matchemphys.2023.128154

  • Artigo de periodico

    Designing Strategies towards non-fullerene DTCR1 based compounds for the exploration of Non-linear optical behavior (2023)

    khalid, Muhammad; Saeed, Zubaria; Shafiq, Iqra ; Asghar, Muhammad Adnan ; Braga, Ataualpa Albert Carmo ; Alshehri, Saad M; Akram, Muhammad Safwan ; Ojha, Suvash Chandra

    Fonte: Journal of Saudi Chemical Society. Unidade: IQ

    Assuntos: ORBITAL MOLECULAR, FULERENO

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    • ABNT

      KHALID, Muhammad et al. Designing Strategies towards non-fullerene DTCR1 based compounds for the exploration of Non-linear optical behavior. Journal of Saudi Chemical Society, v. 27, n. 4, p. 1-16 art. 101683, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.jscs.2023.101683. Acesso em: 18 abr. 2024.

    • APA

      khalid, M., Saeed, Z., Shafiq, I., Asghar, M. A., Braga, A. A. C., Alshehri, S. M., et al. (2023). Designing Strategies towards non-fullerene DTCR1 based compounds for the exploration of Non-linear optical behavior. Journal of Saudi Chemical Society, 27( 4), 1-16 art. 101683. doi:10.1016/j.jscs.2023.101683

    • NLM

      khalid M, Saeed Z, Shafiq I, Asghar MA, Braga AAC, Alshehri SM, Akram MS, Ojha SC. Designing Strategies towards non-fullerene DTCR1 based compounds for the exploration of Non-linear optical behavior [Internet]. Journal of Saudi Chemical Society. 2023 ; 27( 4): 1-16 art. 101683.[citado 2024 abr. 18 ] Available from: https://doi.org/10.1016/j.jscs.2023.101683

    • Vancouver

      khalid M, Saeed Z, Shafiq I, Asghar MA, Braga AAC, Alshehri SM, Akram MS, Ojha SC. Designing Strategies towards non-fullerene DTCR1 based compounds for the exploration of Non-linear optical behavior [Internet]. Journal of Saudi Chemical Society. 2023 ; 27( 4): 1-16 art. 101683.[citado 2024 abr. 18 ] Available from: https://doi.org/10.1016/j.jscs.2023.101683

  • Artigo de periodico

    Exploration of nonlinear optical behavior in asymmetric dithieno [3,2b:2′,3′d] pyrrole based push pull constrain: a theoretical approach (2023)

    khalid, Muhammad; Hanif, Saira; Ahmed, Sarfraz; Asghar, Muhammad Adnan; Imran, Muhammad; Braga, Ataualpa Albert Carmo ; Ojha, Suvash Chandra

    Fonte: Journal of Saudi Chemical Society. Unidade: IQ

    Assuntos: COMPOSTOS ORGÂNICOS, ÓPTICA NÃO LINEAR

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    • ABNT

      KHALID, Muhammad et al. Exploration of nonlinear optical behavior in asymmetric dithieno [3,2b:2′,3′d] pyrrole based push pull constrain: a theoretical approach. Journal of Saudi Chemical Society, v. 27, p. 1-15 art. 101650, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.jscs.2023.101650. Acesso em: 18 abr. 2024.

    • APA

      khalid, M., Hanif, S., Ahmed, S., Asghar, M. A., Imran, M., Braga, A. A. C., & Ojha, S. C. (2023). Exploration of nonlinear optical behavior in asymmetric dithieno [3,2b:2′,3′d] pyrrole based push pull constrain: a theoretical approach. Journal of Saudi Chemical Society, 27, 1-15 art. 101650. doi:10.1016/j.jscs.2023.101650

    • NLM

      khalid M, Hanif S, Ahmed S, Asghar MA, Imran M, Braga AAC, Ojha SC. Exploration of nonlinear optical behavior in asymmetric dithieno [3,2b:2′,3′d] pyrrole based push pull constrain: a theoretical approach [Internet]. Journal of Saudi Chemical Society. 2023 ; 27 1-15 art. 101650.[citado 2024 abr. 18 ] Available from: https://doi.org/10.1016/j.jscs.2023.101650

    • Vancouver

      khalid M, Hanif S, Ahmed S, Asghar MA, Imran M, Braga AAC, Ojha SC. Exploration of nonlinear optical behavior in asymmetric dithieno [3,2b:2′,3′d] pyrrole based push pull constrain: a theoretical approach [Internet]. Journal of Saudi Chemical Society. 2023 ; 27 1-15 art. 101650.[citado 2024 abr. 18 ] Available from: https://doi.org/10.1016/j.jscs.2023.101650

  • Trabalho de evento-resumo

    Estudo teórico da hidroformilação do (1R,5R)-sabineno catalisada por ródio: desvendando o mecanismo de formação de aldeídos monoterpenos por meio de cálculos de DFT (2023)

    Santos, Daniel de Carvalho; Vieira, Camila Grossi ; Braga, Ataualpa Albert Carmo

    Fonte: Anais. Nome do evento: Congresso Brasileiro de Catálise/CBCat. Unidade: IQ

    Assuntos: RÓDIO, ALDEÍDOS, CATÁLISE

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    • ABNT

      SANTOS, Daniel de Carvalho e VIEIRA, Camila Grossi e BRAGA, Ataualpa Albert Carmo. Estudo teórico da hidroformilação do (1R,5R)-sabineno catalisada por ródio: desvendando o mecanismo de formação de aldeídos monoterpenos por meio de cálculos de DFT. 2023, Anais.. Rio de Janeiro: Sociedade Brasileira de Catálise/SBCat, 2023. Disponível em: https://submissao.cbcat.sbcat.org.br/index.php/2023-cbcat/article/view/182/137. Acesso em: 18 abr. 2024.

    • APA

      Santos, D. de C., Vieira, C. G., & Braga, A. A. C. (2023). Estudo teórico da hidroformilação do (1R,5R)-sabineno catalisada por ródio: desvendando o mecanismo de formação de aldeídos monoterpenos por meio de cálculos de DFT. In Anais. Rio de Janeiro: Sociedade Brasileira de Catálise/SBCat. Recuperado de https://submissao.cbcat.sbcat.org.br/index.php/2023-cbcat/article/view/182/137

    • NLM

      Santos D de C, Vieira CG, Braga AAC. Estudo teórico da hidroformilação do (1R,5R)-sabineno catalisada por ródio: desvendando o mecanismo de formação de aldeídos monoterpenos por meio de cálculos de DFT [Internet]. Anais. 2023 ;[citado 2024 abr. 18 ] Available from: https://submissao.cbcat.sbcat.org.br/index.php/2023-cbcat/article/view/182/137

    • Vancouver

      Santos D de C, Vieira CG, Braga AAC. Estudo teórico da hidroformilação do (1R,5R)-sabineno catalisada por ródio: desvendando o mecanismo de formação de aldeídos monoterpenos por meio de cálculos de DFT [Internet]. Anais. 2023 ;[citado 2024 abr. 18 ] Available from: https://submissao.cbcat.sbcat.org.br/index.php/2023-cbcat/article/view/182/137

  • Artigo de periodico

    Synthesis and spectroscopic characterization of Nicotinaldehyde based derivatives: SC-XRD, linear and non-linear optical studies (2023)

    Ahmed, Adnan; Adeel, Muhammad; Khan, Ilham; Khalid, Muhammad ; Raouf, Abdul; Aiman, Ume; Villinger, Alexander ; Braga, Ataualpa Albert Carmo ; Assiri, Mohammed A; Imran, Muhammad

    Fonte: Journal of Molecular Structure. Unidade: IQ

    Assuntos: ESPECTROSCOPIA, DIFRAÇÃO POR RAIOS X

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      AHMED, Adnan et al. Synthesis and spectroscopic characterization of Nicotinaldehyde based derivatives: SC-XRD, linear and non-linear optical studies. Journal of Molecular Structure, v. 1273, p. 1-12 art. 134236, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2022.134236. Acesso em: 18 abr. 2024.

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      Ahmed, A., Adeel, M., Khan, I., Khalid, M., Raouf, A., Aiman, U., et al. (2023). Synthesis and spectroscopic characterization of Nicotinaldehyde based derivatives: SC-XRD, linear and non-linear optical studies. Journal of Molecular Structure, 1273, 1-12 art. 134236. doi:10.1016/j.molstruc.2022.134236

    • NLM

      Ahmed A, Adeel M, Khan I, Khalid M, Raouf A, Aiman U, Villinger A, Braga AAC, Assiri MA, Imran M. Synthesis and spectroscopic characterization of Nicotinaldehyde based derivatives: SC-XRD, linear and non-linear optical studies [Internet]. Journal of Molecular Structure. 2023 ; 1273 1-12 art. 134236.[citado 2024 abr. 18 ] Available from: https://doi.org/10.1016/j.molstruc.2022.134236

    • Vancouver

      Ahmed A, Adeel M, Khan I, Khalid M, Raouf A, Aiman U, Villinger A, Braga AAC, Assiri MA, Imran M. Synthesis and spectroscopic characterization of Nicotinaldehyde based derivatives: SC-XRD, linear and non-linear optical studies [Internet]. Journal of Molecular Structure. 2023 ; 1273 1-12 art. 134236.[citado 2024 abr. 18 ] Available from: https://doi.org/10.1016/j.molstruc.2022.134236

  • Trabalho de evento-resumo

    Estudo computacional da reação de anelação de N-metóxi amidas e arinas via ativação C-H catalisadas por paládio(II) (2023)

    Alves, Erick Henrique de Souza ; Oliveira, Daniel Arley Santos ; Braga, Ataualpa Albert Carmo

    Fonte: Resumos. Nome do evento: Simpósio Internacional de Iniciação Científica e Tecnológica da USP/SIICUSP. Unidade: IQ

    Assuntos: PALÁDIO, CATALISADORES

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      ALVES, Erick Henrique de Souza e OLIVEIRA, Daniel Arley Santos e BRAGA, Ataualpa Albert Carmo. Estudo computacional da reação de anelação de N-metóxi amidas e arinas via ativação C-H catalisadas por paládio(II). 2023, Anais.. São Paulo: Pró-Reitoria de Pesquisa da USP, 2023. Disponível em: https://uspdigital.usp.br/siicusp/siicPublicacao.jsp?codmnu=7210. Acesso em: 18 abr. 2024.

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      Alves, E. H. de S., Oliveira, D. A. S., & Braga, A. A. C. (2023). Estudo computacional da reação de anelação de N-metóxi amidas e arinas via ativação C-H catalisadas por paládio(II). In Resumos. São Paulo: Pró-Reitoria de Pesquisa da USP. Recuperado de https://uspdigital.usp.br/siicusp/siicPublicacao.jsp?codmnu=7210

    • NLM

      Alves EH de S, Oliveira DAS, Braga AAC. Estudo computacional da reação de anelação de N-metóxi amidas e arinas via ativação C-H catalisadas por paládio(II) [Internet]. Resumos. 2023 ;[citado 2024 abr. 18 ] Available from: https://uspdigital.usp.br/siicusp/siicPublicacao.jsp?codmnu=7210

    • Vancouver

      Alves EH de S, Oliveira DAS, Braga AAC. Estudo computacional da reação de anelação de N-metóxi amidas e arinas via ativação C-H catalisadas por paládio(II) [Internet]. Resumos. 2023 ;[citado 2024 abr. 18 ] Available from: https://uspdigital.usp.br/siicusp/siicPublicacao.jsp?codmnu=7210

  • Artigo de periodico

    Exploring probenecid derived 1,3,4-Oxadiazole-phthalimide hybrid as α-Amylase inhibitor: synthesis, structural investigation, and molecular modeling (2023)

    Khan, Bilal Ahmad ; Hamdani, Syeda Shamila; Khalid, Muhammad ; Ashfaq, Muhammad ; Munawar, Khurram Shahzad ; Tahir, Muhammad Nawaz ; Braga, Ataualpa Albert Carmo ; Shawky, Ahmed M ; Alqahtani, Alaa M ; Abourehab, Mohammed A. S ; Gabr, Gamal A ; Ibrahim, Mahmoud A. A ; Sidhom, Peter A

    Fonte: pharmaceuticals. Unidade: IQ

    Assuntos: MODELAGEM MOLECULAR, DIABETES MELLITUS, DIFRAÇÃO POR RAIOS X

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    • ABNT

      KHAN, Bilal Ahmad et al. Exploring probenecid derived 1,3,4-Oxadiazole-phthalimide hybrid as α-Amylase inhibitor: synthesis, structural investigation, and molecular modeling. pharmaceuticals, v. 16, p. 1-19 art. 424, 2023Tradução . . Disponível em: https://doi.org/10.3390/ph16030424. Acesso em: 18 abr. 2024.

    • APA

      Khan, B. A., Hamdani, S. S., Khalid, M., Ashfaq, M., Munawar, K. S., Tahir, M. N., et al. (2023). Exploring probenecid derived 1,3,4-Oxadiazole-phthalimide hybrid as α-Amylase inhibitor: synthesis, structural investigation, and molecular modeling. pharmaceuticals, 16, 1-19 art. 424. doi:10.3390/ph16030424

    • NLM

      Khan BA, Hamdani SS, Khalid M, Ashfaq M, Munawar KS, Tahir MN, Braga AAC, Shawky AM, Alqahtani AM, Abourehab MAS, Gabr GA, Ibrahim MAA, Sidhom PA. Exploring probenecid derived 1,3,4-Oxadiazole-phthalimide hybrid as α-Amylase inhibitor: synthesis, structural investigation, and molecular modeling [Internet]. pharmaceuticals. 2023 ; 16 1-19 art. 424.[citado 2024 abr. 18 ] Available from: https://doi.org/10.3390/ph16030424

    • Vancouver

      Khan BA, Hamdani SS, Khalid M, Ashfaq M, Munawar KS, Tahir MN, Braga AAC, Shawky AM, Alqahtani AM, Abourehab MAS, Gabr GA, Ibrahim MAA, Sidhom PA. Exploring probenecid derived 1,3,4-Oxadiazole-phthalimide hybrid as α-Amylase inhibitor: synthesis, structural investigation, and molecular modeling [Internet]. pharmaceuticals. 2023 ; 16 1-19 art. 424.[citado 2024 abr. 18 ] Available from: https://doi.org/10.3390/ph16030424

  • Artigo de periodico

    Exploration of photovoltaic behavior of fused triphenylamine moiety as core donor with modified acceptors: star-shaped D-π-A conjugated systems (2023)

    Khalid, Muhammad; Ishaque, Ume Habiba; Asghar, Muhammad Adnan; Adeel, Muhammad; Alam, Mohammed Mujahid ; Imran, Muhammad ; Baby, Rabia; Braga, Ataualpa Albert Carmo ; Rehman, Muhammad Fayyaz ur ; Akram, Muhammad Safwan

    Fonte: Materials Chemistry and Physics. Unidade: IQ

    Assuntos: CÉLULAS SOLARES, CRISE ENERGÉTICA

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    • ABNT

      KHALID, Muhammad et al. Exploration of photovoltaic behavior of fused triphenylamine moiety as core donor with modified acceptors: star-shaped D-π-A conjugated systems. Materials Chemistry and Physics, v. 299, p. 1-13 art. 127528, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.matchemphys.2023.127528. Acesso em: 18 abr. 2024.

    • APA

      Khalid, M., Ishaque, U. H., Asghar, M. A., Adeel, M., Alam, M. M., Imran, M., et al. (2023). Exploration of photovoltaic behavior of fused triphenylamine moiety as core donor with modified acceptors: star-shaped D-π-A conjugated systems. Materials Chemistry and Physics, 299, 1-13 art. 127528. doi:10.1016/j.matchemphys.2023.127528

    • NLM

      Khalid M, Ishaque UH, Asghar MA, Adeel M, Alam MM, Imran M, Baby R, Braga AAC, Rehman MF ur, Akram MS. Exploration of photovoltaic behavior of fused triphenylamine moiety as core donor with modified acceptors: star-shaped D-π-A conjugated systems [Internet]. Materials Chemistry and Physics. 2023 ; 299 1-13 art. 127528.[citado 2024 abr. 18 ] Available from: https://doi.org/10.1016/j.matchemphys.2023.127528

    • Vancouver

      Khalid M, Ishaque UH, Asghar MA, Adeel M, Alam MM, Imran M, Baby R, Braga AAC, Rehman MF ur, Akram MS. Exploration of photovoltaic behavior of fused triphenylamine moiety as core donor with modified acceptors: star-shaped D-π-A conjugated systems [Internet]. Materials Chemistry and Physics. 2023 ; 299 1-13 art. 127528.[citado 2024 abr. 18 ] Available from: https://doi.org/10.1016/j.matchemphys.2023.127528

  • Artigo de periodico

    A theoretical approach for exploration of non-linear optical amplification of fused azacycle donor based thiophene polymer functionalized chromophores (2023)

    Shafiq, Iqra; Ishaque, Ume Habiba; Khalid, Muhammad ; Braga, Ataualpa Albert Carmo ; Asghar, Muhammad Adnan; Alshehri, Saad M; Ahmed, Sarfraz; Ojha, Suvash Chandra

    Fonte: Journal of Saudi Chemical Society. Unidade: IQ

    Assunto: QUÍMICA QUÂNTICA

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    • ABNT

      SHAFIQ, Iqra et al. A theoretical approach for exploration of non-linear optical amplification of fused azacycle donor based thiophene polymer functionalized chromophores. Journal of Saudi Chemical Society, v. 27, p. 1-16 art. 101707, 2023Tradução . . Disponível em: https://dx.doi.org/10.1016/j.jscs.2023.101707. Acesso em: 18 abr. 2024.

    • APA

      Shafiq, I., Ishaque, U. H., Khalid, M., Braga, A. A. C., Asghar, M. A., Alshehri, S. M., et al. (2023). A theoretical approach for exploration of non-linear optical amplification of fused azacycle donor based thiophene polymer functionalized chromophores. Journal of Saudi Chemical Society, 27, 1-16 art. 101707. doi:10.1016/j.jscs.2023.101707

    • NLM

      Shafiq I, Ishaque UH, Khalid M, Braga AAC, Asghar MA, Alshehri SM, Ahmed S, Ojha SC. A theoretical approach for exploration of non-linear optical amplification of fused azacycle donor based thiophene polymer functionalized chromophores [Internet]. Journal of Saudi Chemical Society. 2023 ; 27 1-16 art. 101707.[citado 2024 abr. 18 ] Available from: https://dx.doi.org/10.1016/j.jscs.2023.101707

    • Vancouver

      Shafiq I, Ishaque UH, Khalid M, Braga AAC, Asghar MA, Alshehri SM, Ahmed S, Ojha SC. A theoretical approach for exploration of non-linear optical amplification of fused azacycle donor based thiophene polymer functionalized chromophores [Internet]. Journal of Saudi Chemical Society. 2023 ; 27 1-16 art. 101707.[citado 2024 abr. 18 ] Available from: https://dx.doi.org/10.1016/j.jscs.2023.101707

  • Artigo de periodico

    Influence of azacycle donor moieties on the photovoltaic properties of benzo[c][1,2,5]thiadiazole based organic systems: a DFT study (2023)

    shafq, Iqra; Khalid, Muhammad; Asghar, Muhammad Adnan ; Baby, Rabia ; Braga, Ataualpa Albert Carmo ; Alshehri, Saad M; Ahmed, Sarfraz

    Fonte: Scientifc Reports. Unidade: IQ

    Assuntos: MATERIAIS, ÓPTICA, FOTÔNICA

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    • ABNT

      SHAFQ, Iqra et al. Influence of azacycle donor moieties on the photovoltaic properties of benzo[c][1,2,5]thiadiazole based organic systems: a DFT study. Scientifc Reports, v. 13, p. 1-12 art. 14630, 2023Tradução . . Disponível em: https://doi.org/10.1038/s41598-023-41679-0. Acesso em: 18 abr. 2024.

    • APA

      shafq, I., Khalid, M., Asghar, M. A., Baby, R., Braga, A. A. C., Alshehri, S. M., & Ahmed, S. (2023). Influence of azacycle donor moieties on the photovoltaic properties of benzo[c][1,2,5]thiadiazole based organic systems: a DFT study. Scientifc Reports, 13, 1-12 art. 14630. doi:10.1038/s41598-023-41679-0

    • NLM

      shafq I, Khalid M, Asghar MA, Baby R, Braga AAC, Alshehri SM, Ahmed S. Influence of azacycle donor moieties on the photovoltaic properties of benzo[c][1,2,5]thiadiazole based organic systems: a DFT study [Internet]. Scientifc Reports. 2023 ; 13 1-12 art. 14630.[citado 2024 abr. 18 ] Available from: https://doi.org/10.1038/s41598-023-41679-0

    • Vancouver

      shafq I, Khalid M, Asghar MA, Baby R, Braga AAC, Alshehri SM, Ahmed S. Influence of azacycle donor moieties on the photovoltaic properties of benzo[c][1,2,5]thiadiazole based organic systems: a DFT study [Internet]. Scientifc Reports. 2023 ; 13 1-12 art. 14630.[citado 2024 abr. 18 ] Available from: https://doi.org/10.1038/s41598-023-41679-0

  • Artigo de periodico

    Structural modeling of 1,4 azaborine-based chromophores for organic solar cells using bracing units with benzothiophene-incorporated acceptors for exploration of photovoltaic behavior (2023)

    Khalid, Muhammad ; Shafiq, Iqra ; Ojha, Suvash Chandra ; Braga, Ataualpa Albert Carmo ; Ahamad, Tansir ; Arshad, Muhammad

    Fonte: Journal of Photochemistry & Photobiology, A: Chemistry. Unidade: IQ

    Assuntos: ÓPTICA ELETRÔNICA, CÉLULAS SOLARES

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    • ABNT

      KHALID, Muhammad et al. Structural modeling of 1,4 azaborine-based chromophores for organic solar cells using bracing units with benzothiophene-incorporated acceptors for exploration of photovoltaic behavior. Journal of Photochemistry & Photobiology, A: Chemistry, v. 445, p. 1-17, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.jphotochem.2023.115091. Acesso em: 18 abr. 2024.

    • APA

      Khalid, M., Shafiq, I., Ojha, S. C., Braga, A. A. C., Ahamad, T., & Arshad, M. (2023). Structural modeling of 1,4 azaborine-based chromophores for organic solar cells using bracing units with benzothiophene-incorporated acceptors for exploration of photovoltaic behavior. Journal of Photochemistry & Photobiology, A: Chemistry, 445, 1-17. doi:10.1016/j.jphotochem.2023.115091

    • NLM

      Khalid M, Shafiq I, Ojha SC, Braga AAC, Ahamad T, Arshad M. Structural modeling of 1,4 azaborine-based chromophores for organic solar cells using bracing units with benzothiophene-incorporated acceptors for exploration of photovoltaic behavior [Internet]. Journal of Photochemistry & Photobiology, A: Chemistry. 2023 ; 445 1-17.[citado 2024 abr. 18 ] Available from: https://doi.org/10.1016/j.jphotochem.2023.115091

    • Vancouver

      Khalid M, Shafiq I, Ojha SC, Braga AAC, Ahamad T, Arshad M. Structural modeling of 1,4 azaborine-based chromophores for organic solar cells using bracing units with benzothiophene-incorporated acceptors for exploration of photovoltaic behavior [Internet]. Journal of Photochemistry & Photobiology, A: Chemistry. 2023 ; 445 1-17.[citado 2024 abr. 18 ] Available from: https://doi.org/10.1016/j.jphotochem.2023.115091

  • Artigo de periodico

    Experimental and quantum chemical studies of hydrazone-based organic chromophores: synthesis, spectroscopic and nonlinear optical properties (2023)

    Haroon, Muhammad ; Akhtar, Tashfeen ; Khalid, Muhammad ; Mehmood, Hasnain; Braga, Ataualpa Albert Carmo ; Alhokbany, Norah ; Ahmed, Sarfraz

    Fonte: ChemistrySelect. Unidade: IQ

    Assuntos: ESPECTROSCOPIA, MATERIAIS ÓPTICOS

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    • ABNT

      HAROON, Muhammad et al. Experimental and quantum chemical studies of hydrazone-based organic chromophores: synthesis, spectroscopic and nonlinear optical properties. ChemistrySelect, v. 8, n. 28, p. 1-11, 2023Tradução . . Disponível em: https://doi.org/10.1002/slct.202301209. Acesso em: 18 abr. 2024.

    • APA

      Haroon, M., Akhtar, T., Khalid, M., Mehmood, H., Braga, A. A. C., Alhokbany, N., & Ahmed, S. (2023). Experimental and quantum chemical studies of hydrazone-based organic chromophores: synthesis, spectroscopic and nonlinear optical properties. ChemistrySelect, 8( 28), 1-11. doi:10.1002/slct.202301209

    • NLM

      Haroon M, Akhtar T, Khalid M, Mehmood H, Braga AAC, Alhokbany N, Ahmed S. Experimental and quantum chemical studies of hydrazone-based organic chromophores: synthesis, spectroscopic and nonlinear optical properties [Internet]. ChemistrySelect. 2023 ; 8( 28): 1-11.[citado 2024 abr. 18 ] Available from: https://doi.org/10.1002/slct.202301209

    • Vancouver

      Haroon M, Akhtar T, Khalid M, Mehmood H, Braga AAC, Alhokbany N, Ahmed S. Experimental and quantum chemical studies of hydrazone-based organic chromophores: synthesis, spectroscopic and nonlinear optical properties [Internet]. ChemistrySelect. 2023 ; 8( 28): 1-11.[citado 2024 abr. 18 ] Available from: https://doi.org/10.1002/slct.202301209

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