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Filtros : "Financiamento HEC/NRPU" Limpar

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  • Artigo de periodico

    Glassy carbon electrodes modified with Au@NiCo-glycerolates for non-enzymatic detection of glucose in beverages (2026)

    Hyder, Ali; Lima, Irlan dos Santos ; Oliveira, Thawan Gomes de ; Oliveira, Giovane de Jesus ; Gonçalves, Josué Martins ; Khan, Zahid U; Memon, Ayaz Ali; Solangi, Amber Rehana; Angnes, Lúcio

    Source: Talanta. Unidades: IQ, EP

    Subjects: COBALTO, OURO, GLICOSE, AMPEROMETRIA

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      HYDER, Ali et al. Glassy carbon electrodes modified with Au@NiCo-glycerolates for non-enzymatic detection of glucose in beverages. Talanta, v. 300, p. 1-9 art. 129252, 2026Tradução . . Disponível em: https://dx.doi.org/10.1016/j.talanta.2025.129252. Acesso em: 01 maio 2026.

    • APA

      Hyder, A., Lima, I. dos S., Oliveira, T. G. de, Oliveira, G. de J., Gonçalves, J. M., Khan, Z. U., et al. (2026). Glassy carbon electrodes modified with Au@NiCo-glycerolates for non-enzymatic detection of glucose in beverages. Talanta, 300, 1-9 art. 129252. doi:10.1016/j.talanta.2025.129252

    • NLM

      Hyder A, Lima I dos S, Oliveira TG de, Oliveira G de J, Gonçalves JM, Khan ZU, Memon AA, Solangi AR, Angnes L. Glassy carbon electrodes modified with Au@NiCo-glycerolates for non-enzymatic detection of glucose in beverages [Internet]. Talanta. 2026 ; 300 1-9 art. 129252.[citado 2026 maio 01 ] Available from: https://dx.doi.org/10.1016/j.talanta.2025.129252

    • Vancouver

      Hyder A, Lima I dos S, Oliveira TG de, Oliveira G de J, Gonçalves JM, Khan ZU, Memon AA, Solangi AR, Angnes L. Glassy carbon electrodes modified with Au@NiCo-glycerolates for non-enzymatic detection of glucose in beverages [Internet]. Talanta. 2026 ; 300 1-9 art. 129252.[citado 2026 maio 01 ] Available from: https://dx.doi.org/10.1016/j.talanta.2025.129252

  • Artigo de periodico

    Exploration of optoelectronic and photovoltaic properties for azaborinine-based materials via symmetrically coupled acceptors: a DFT/TD-DFT approach (2025)

    Khalid, Muhammad; Murtaza, Shahzad ; Mussarat, Ayesha; Ahamad, Tansir ; Braga, Ataualpa Albert Carmo ; Ojha, Suvash Chandra

    Source: Arabian Journal of Chemistry. Unidade: IQ

    Subjects: CÉLULAS SOLARES, FULERENO

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      KHALID, Muhammad et al. Exploration of optoelectronic and photovoltaic properties for azaborinine-based materials via symmetrically coupled acceptors: a DFT/TD-DFT approach. Arabian Journal of Chemistry, 2025Tradução . . Disponível em: https://dx.doi.org/10.25259/AJC_61_2025. Acesso em: 01 maio 2026.

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      Khalid, M., Murtaza, S., Mussarat, A., Ahamad, T., Braga, A. A. C., & Ojha, S. C. (2025). Exploration of optoelectronic and photovoltaic properties for azaborinine-based materials via symmetrically coupled acceptors: a DFT/TD-DFT approach. Arabian Journal of Chemistry. doi:10.25259/AJC_61_2025

    • NLM

      Khalid M, Murtaza S, Mussarat A, Ahamad T, Braga AAC, Ojha SC. Exploration of optoelectronic and photovoltaic properties for azaborinine-based materials via symmetrically coupled acceptors: a DFT/TD-DFT approach [Internet]. Arabian Journal of Chemistry. 2025 ;[citado 2026 maio 01 ] Available from: https://dx.doi.org/10.25259/AJC_61_2025

    • Vancouver

      Khalid M, Murtaza S, Mussarat A, Ahamad T, Braga AAC, Ojha SC. Exploration of optoelectronic and photovoltaic properties for azaborinine-based materials via symmetrically coupled acceptors: a DFT/TD-DFT approach [Internet]. Arabian Journal of Chemistry. 2025 ;[citado 2026 maio 01 ] Available from: https://dx.doi.org/10.25259/AJC_61_2025

  • Artigo de periodico

    Exploring key electronic and non-linear optical amplitute with bilateral intramolecular charge transfer into thieno[3,2-b]thiophene-based compounds: a DFT approach (2025)

    Khalid, Muhammad ; Arshad, Memoona; Haroon, Muhammad; Braga, Ataualpa Albert Carmo ; Alhokbany, Norah

    Source: RSC Advances. Unidade: IQ

    Subjects: MOLÉCULA, LIGANTES

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      KHALID, Muhammad et al. Exploring key electronic and non-linear optical amplitute with bilateral intramolecular charge transfer into thieno[3,2-b]thiophene-based compounds: a DFT approach. RSC Advances, v. 15, p. 6291–6307, 2025Tradução . . Disponível em: https://dx.doi.org/10.1039/d4ra08662g. Acesso em: 01 maio 2026.

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      Khalid, M., Arshad, M., Haroon, M., Braga, A. A. C., & Alhokbany, N. (2025). Exploring key electronic and non-linear optical amplitute with bilateral intramolecular charge transfer into thieno[3,2-b]thiophene-based compounds: a DFT approach. RSC Advances, 15, 6291–6307. doi:10.1039/d4ra08662g

    • NLM

      Khalid M, Arshad M, Haroon M, Braga AAC, Alhokbany N. Exploring key electronic and non-linear optical amplitute with bilateral intramolecular charge transfer into thieno[3,2-b]thiophene-based compounds: a DFT approach [Internet]. RSC Advances. 2025 ; 15 6291–6307.[citado 2026 maio 01 ] Available from: https://dx.doi.org/10.1039/d4ra08662g

    • Vancouver

      Khalid M, Arshad M, Haroon M, Braga AAC, Alhokbany N. Exploring key electronic and non-linear optical amplitute with bilateral intramolecular charge transfer into thieno[3,2-b]thiophene-based compounds: a DFT approach [Internet]. RSC Advances. 2025 ; 15 6291–6307.[citado 2026 maio 01 ] Available from: https://dx.doi.org/10.1039/d4ra08662g

  • Artigo de periodico

    Enhanced photovoltaic properties via end‑capped acceptor moieties with quinoidal selenophene π‑spacer: probed by DFT/TD‑DFT (2025)

    Khan, Mashal; khalid, Muhammad; Murtaza, Shahzad ; Braga, Ataualpa Albert Carmo ; Imran, Muhammad; Ojha, Suvash Chandra

    Source: Journal of Saudi Chemical Society. Unidade: IQ

    Subjects: QUÍMICA ORGÂNICA, CÉLULAS SOLARES

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      KHAN, Mashal et al. Enhanced photovoltaic properties via end‑capped acceptor moieties with quinoidal selenophene π‑spacer: probed by DFT/TD‑DFT. Journal of Saudi Chemical Society, v. 29, n. 38, p. 1-20, 2025Tradução . . Disponível em: https://dx.doi.org/10.1007/s44442-025-00044-8. Acesso em: 01 maio 2026.

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      Khan, M., khalid, M., Murtaza, S., Braga, A. A. C., Imran, M., & Ojha, S. C. (2025). Enhanced photovoltaic properties via end‑capped acceptor moieties with quinoidal selenophene π‑spacer: probed by DFT/TD‑DFT. Journal of Saudi Chemical Society, 29( 38), 1-20. doi:10.1007/s44442-025-00044-8

    • NLM

      Khan M, khalid M, Murtaza S, Braga AAC, Imran M, Ojha SC. Enhanced photovoltaic properties via end‑capped acceptor moieties with quinoidal selenophene π‑spacer: probed by DFT/TD‑DFT [Internet]. Journal of Saudi Chemical Society. 2025 ; 29( 38): 1-20.[citado 2026 maio 01 ] Available from: https://dx.doi.org/10.1007/s44442-025-00044-8

    • Vancouver

      Khan M, khalid M, Murtaza S, Braga AAC, Imran M, Ojha SC. Enhanced photovoltaic properties via end‑capped acceptor moieties with quinoidal selenophene π‑spacer: probed by DFT/TD‑DFT [Internet]. Journal of Saudi Chemical Society. 2025 ; 29( 38): 1-20.[citado 2026 maio 01 ] Available from: https://dx.doi.org/10.1007/s44442-025-00044-8

  • Artigo de periodico

    Exploration of selenophene analogue and different acceptor influence on photovoltaic properties of pyrrole-4,6(5-H)-dione based chromophores via quantum chemical investigations (2025)

    Khalid, Muhammad; Tayyab, Fatima; Adeel, Muhammad; Tahir, Nayab; Braga, Ataualpa Albert Carmo ; Alrashidi, Khalid Abdullah

    Source: scientific reports. Unidade: IQ

    Subjects: ENGENHARIA, FULERENO, COMPOSTOS ORGÂNICOS, ORBITAL MOLECULAR

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      KHALID, Muhammad et al. Exploration of selenophene analogue and different acceptor influence on photovoltaic properties of pyrrole-4,6(5-H)-dione based chromophores via quantum chemical investigations. scientific reports, v. 15, p. 1-18 art. 14792, 2025Tradução . . Disponível em: https://dx.doi.org/10.1038/s41598-025-99585-6. Acesso em: 01 maio 2026.

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      Khalid, M., Tayyab, F., Adeel, M., Tahir, N., Braga, A. A. C., & Alrashidi, K. A. (2025). Exploration of selenophene analogue and different acceptor influence on photovoltaic properties of pyrrole-4,6(5-H)-dione based chromophores via quantum chemical investigations. scientific reports, 15, 1-18 art. 14792. doi:10.1038/s41598-025-99585-6

    • NLM

      Khalid M, Tayyab F, Adeel M, Tahir N, Braga AAC, Alrashidi KA. Exploration of selenophene analogue and different acceptor influence on photovoltaic properties of pyrrole-4,6(5-H)-dione based chromophores via quantum chemical investigations [Internet]. scientific reports. 2025 ; 15 1-18 art. 14792.[citado 2026 maio 01 ] Available from: https://dx.doi.org/10.1038/s41598-025-99585-6

    • Vancouver

      Khalid M, Tayyab F, Adeel M, Tahir N, Braga AAC, Alrashidi KA. Exploration of selenophene analogue and different acceptor influence on photovoltaic properties of pyrrole-4,6(5-H)-dione based chromophores via quantum chemical investigations [Internet]. scientific reports. 2025 ; 15 1-18 art. 14792.[citado 2026 maio 01 ] Available from: https://dx.doi.org/10.1038/s41598-025-99585-6

  • Artigo de periodico

    Therapeutic potential of oxaloacetic acid against toxic metals and sodium nitroprusside induced phospholipids peroxidation (2025)

    Hussain, Saddam ; Saadi, Sheikh; Hassan, Waseem; Akitsu, Takashiro

    Source: Next Research. Unidade: IQSC

    Subjects: QUÍMICA INORGÂNICA, METAIS PESADOS, FOSFOLIPÍDEOS

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      HUSSAIN, Saddam et al. Therapeutic potential of oxaloacetic acid against toxic metals and sodium nitroprusside induced phospholipids peroxidation. Next Research, v. 2, n. 2, 2025Tradução . . Disponível em: https://doi.org/10.1016/j.nexres.2025.100333. Acesso em: 01 maio 2026.

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      Hussain, S., Saadi, S., Hassan, W., & Akitsu, T. (2025). Therapeutic potential of oxaloacetic acid against toxic metals and sodium nitroprusside induced phospholipids peroxidation. Next Research, 2( 2). doi:10.1016/j.nexres.2025.100333

    • NLM

      Hussain S, Saadi S, Hassan W, Akitsu T. Therapeutic potential of oxaloacetic acid against toxic metals and sodium nitroprusside induced phospholipids peroxidation [Internet]. Next Research. 2025 ; 2( 2):[citado 2026 maio 01 ] Available from: https://doi.org/10.1016/j.nexres.2025.100333

    • Vancouver

      Hussain S, Saadi S, Hassan W, Akitsu T. Therapeutic potential of oxaloacetic acid against toxic metals and sodium nitroprusside induced phospholipids peroxidation [Internet]. Next Research. 2025 ; 2( 2):[citado 2026 maio 01 ] Available from: https://doi.org/10.1016/j.nexres.2025.100333

  • Artigo de periodico

    Design and evaluation of indacenothienothiophene based functional materials for second and third order nonlinear optics properties via DFT approach (2025)

    Haq, Saadia; Khalid, Muhammad; Braga, Ataualpa Albert Carmo ; Alhokbany, Norah ; Chen, Ke

    Source: Scientific Reports. Unidade: IQ

    Subjects: ÓPTICA NÃO LINEAR, DENSIDADE, FOTÔNICA

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      HAQ, Saadia et al. Design and evaluation of indacenothienothiophene based functional materials for second and third order nonlinear optics properties via DFT approach. Scientific Reports, v. 15, p. 1-18 art. 13262, 2025Tradução . . Disponível em: https://dx.doi.org/10.1038/s41598-025-96902-x. Acesso em: 01 maio 2026.

    • APA

      Haq, S., Khalid, M., Braga, A. A. C., Alhokbany, N., & Chen, K. (2025). Design and evaluation of indacenothienothiophene based functional materials for second and third order nonlinear optics properties via DFT approach. Scientific Reports, 15, 1-18 art. 13262. doi:10.1038/s41598-025-96902-x

    • NLM

      Haq S, Khalid M, Braga AAC, Alhokbany N, Chen K. Design and evaluation of indacenothienothiophene based functional materials for second and third order nonlinear optics properties via DFT approach [Internet]. Scientific Reports. 2025 ; 15 1-18 art. 13262.[citado 2026 maio 01 ] Available from: https://dx.doi.org/10.1038/s41598-025-96902-x

    • Vancouver

      Haq S, Khalid M, Braga AAC, Alhokbany N, Chen K. Design and evaluation of indacenothienothiophene based functional materials for second and third order nonlinear optics properties via DFT approach [Internet]. Scientific Reports. 2025 ; 15 1-18 art. 13262.[citado 2026 maio 01 ] Available from: https://dx.doi.org/10.1038/s41598-025-96902-x

  • Artigo de periodico

    Enhancing the photovoltaic properties of phenylsulfonyl carbazole-based materials by incorporating a thiophene ring and end-capped acceptors for organic solar cells: a DFT approach (2025)

    Khalid, Muhammad ; Amir, Laiba; Arshad, Muhammad; Shafiq, Iqra ; Braga, Ataualpa Albert Carmo ; Alrashidi, Khalid Abdullah

    Source: RSC Advances. Unidade: IQ

    Subjects: ENERGIA SOLAR, QUÍMICA QUÂNTICA, CÉLULAS SOLARES

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      KHALID, Muhammad et al. Enhancing the photovoltaic properties of phenylsulfonyl carbazole-based materials by incorporating a thiophene ring and end-capped acceptors for organic solar cells: a DFT approach. RSC Advances, v. 15, p. 5965–5976, 2025Tradução . . Disponível em: https://dx.doi.org/10.1039/D4RA06073C. Acesso em: 01 maio 2026.

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      Khalid, M., Amir, L., Arshad, M., Shafiq, I., Braga, A. A. C., & Alrashidi, K. A. (2025). Enhancing the photovoltaic properties of phenylsulfonyl carbazole-based materials by incorporating a thiophene ring and end-capped acceptors for organic solar cells: a DFT approach. RSC Advances, 15, 5965–5976. doi:10.1039/D4RA06073C

    • NLM

      Khalid M, Amir L, Arshad M, Shafiq I, Braga AAC, Alrashidi KA. Enhancing the photovoltaic properties of phenylsulfonyl carbazole-based materials by incorporating a thiophene ring and end-capped acceptors for organic solar cells: a DFT approach [Internet]. RSC Advances. 2025 ; 15 5965–5976.[citado 2026 maio 01 ] Available from: https://dx.doi.org/10.1039/D4RA06073C

    • Vancouver

      Khalid M, Amir L, Arshad M, Shafiq I, Braga AAC, Alrashidi KA. Enhancing the photovoltaic properties of phenylsulfonyl carbazole-based materials by incorporating a thiophene ring and end-capped acceptors for organic solar cells: a DFT approach [Internet]. RSC Advances. 2025 ; 15 5965–5976.[citado 2026 maio 01 ] Available from: https://dx.doi.org/10.1039/D4RA06073C

  • Artigo de periodico

    Unravelling the photovoltaic response of butterfly-shaped fulvene based chromophores with the influence of double acceptor moieties: a DFT approach (2025)

    Khalid, Muhammad; Kousar, Shehla; Haq, Saadia; Braga, Ataualpa Albert Carmo ; Akram, Muhammad Yasir; Alotaibi, Rajeh

    Source: Journal of Industrial and Engineering Chemistry. Unidade: IQ

    Subjects: MOLÉCULA, ÓPTICA ELETRÔNICA

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      KHALID, Muhammad et al. Unravelling the photovoltaic response of butterfly-shaped fulvene based chromophores with the influence of double acceptor moieties: a DFT approach. Journal of Industrial and Engineering Chemistry, v. 142, p. 533-544, 2025Tradução . . Disponível em: https://dx.doi.org/10.1016/j.jiec.2024.07.059. Acesso em: 01 maio 2026.

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      Khalid, M., Kousar, S., Haq, S., Braga, A. A. C., Akram, M. Y., & Alotaibi, R. (2025). Unravelling the photovoltaic response of butterfly-shaped fulvene based chromophores with the influence of double acceptor moieties: a DFT approach. Journal of Industrial and Engineering Chemistry, 142, 533-544. doi:10.1016/j.jiec.2024.07.059

    • NLM

      Khalid M, Kousar S, Haq S, Braga AAC, Akram MY, Alotaibi R. Unravelling the photovoltaic response of butterfly-shaped fulvene based chromophores with the influence of double acceptor moieties: a DFT approach [Internet]. Journal of Industrial and Engineering Chemistry. 2025 ; 142 533-544.[citado 2026 maio 01 ] Available from: https://dx.doi.org/10.1016/j.jiec.2024.07.059

    • Vancouver

      Khalid M, Kousar S, Haq S, Braga AAC, Akram MY, Alotaibi R. Unravelling the photovoltaic response of butterfly-shaped fulvene based chromophores with the influence of double acceptor moieties: a DFT approach [Internet]. Journal of Industrial and Engineering Chemistry. 2025 ; 142 533-544.[citado 2026 maio 01 ] Available from: https://dx.doi.org/10.1016/j.jiec.2024.07.059

  • Artigo de periodico

    Unveiling the influence of end-capped acceptors modification on photovoltaic properties of non-fullerene fused ring compounds: a DFT/TD-DFT study (2024)

    Khalid, Muhammad ; Fatima, Noor; Arshad, Muhammad; Adeel, Muhammad; Braga, Ataualpa Albert Carmo ; Ahamad, Tansir

    Source: RSC Advances. Unidade: IQ

    Subjects: CÉLULAS SOLARES, ORBITAL MOLECULAR

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      KHALID, Muhammad et al. Unveiling the influence of end-capped acceptors modification on photovoltaic properties of non-fullerene fused ring compounds: a DFT/TD-DFT study. RSC Advances, v. 14, p. 20441–20453, 2024Tradução . . Disponível em: https://dx.doi.org/10.1039/d4ra03170a. Acesso em: 01 maio 2026.

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      Khalid, M., Fatima, N., Arshad, M., Adeel, M., Braga, A. A. C., & Ahamad, T. (2024). Unveiling the influence of end-capped acceptors modification on photovoltaic properties of non-fullerene fused ring compounds: a DFT/TD-DFT study. RSC Advances, 14, 20441–20453. doi:10.1039/d4ra03170a

    • NLM

      Khalid M, Fatima N, Arshad M, Adeel M, Braga AAC, Ahamad T. Unveiling the influence of end-capped acceptors modification on photovoltaic properties of non-fullerene fused ring compounds: a DFT/TD-DFT study [Internet]. RSC Advances. 2024 ; 14 20441–20453.[citado 2026 maio 01 ] Available from: https://dx.doi.org/10.1039/d4ra03170a

    • Vancouver

      Khalid M, Fatima N, Arshad M, Adeel M, Braga AAC, Ahamad T. Unveiling the influence of end-capped acceptors modification on photovoltaic properties of non-fullerene fused ring compounds: a DFT/TD-DFT study [Internet]. RSC Advances. 2024 ; 14 20441–20453.[citado 2026 maio 01 ] Available from: https://dx.doi.org/10.1039/d4ra03170a

  • 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

    Source: RSC Advances. Unidade: IQ

    Subjects: ÓPTICA NÃO LINEAR, FIBRA ÓPTICA

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      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: 01 maio 2026.

    • 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 2026 maio 01 ] 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 2026 maio 01 ] Available from: https://dx.doi.org/10.1039/d3ra06673h

  • Artigo de periodico

    Unveiling peripheral symmetric acceptors coupling with tetrathienylbenzene core to promote electron transfer dynamics in organic photovoltaics (2024)

    khalid, Muhammad; Jabbar, Aiman; Murtaza, Shahzad; Arshad, Muhammad; Braga, Ataualpa Albert Carmo; Ahamad, Tansir

    Source: Scientific Reports. Unidade: IQ

    Subjects: COMPOSTOS ORGÂNICOS, CÉLULAS SOLARES

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      KHALID, Muhammad et al. Unveiling peripheral symmetric acceptors coupling with tetrathienylbenzene core to promote electron transfer dynamics in organic photovoltaics. Scientific Reports, v. 14, n. 1, p. 1-13 art. 21176, 2024Tradução . . Disponível em: https://dx.doi.org/10.1038/s41598-024-71777-6. Acesso em: 01 maio 2026.

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      khalid, M., Jabbar, A., Murtaza, S., Arshad, M., Braga, A. A. C., & Ahamad, T. (2024). Unveiling peripheral symmetric acceptors coupling with tetrathienylbenzene core to promote electron transfer dynamics in organic photovoltaics. Scientific Reports, 14( 1), 1-13 art. 21176. doi:10.1038/s41598-024-71777-6

    • NLM

      khalid M, Jabbar A, Murtaza S, Arshad M, Braga AAC, Ahamad T. Unveiling peripheral symmetric acceptors coupling with tetrathienylbenzene core to promote electron transfer dynamics in organic photovoltaics [Internet]. Scientific Reports. 2024 ; 14( 1): 1-13 art. 21176.[citado 2026 maio 01 ] Available from: https://dx.doi.org/10.1038/s41598-024-71777-6

    • Vancouver

      khalid M, Jabbar A, Murtaza S, Arshad M, Braga AAC, Ahamad T. Unveiling peripheral symmetric acceptors coupling with tetrathienylbenzene core to promote electron transfer dynamics in organic photovoltaics [Internet]. Scientific Reports. 2024 ; 14( 1): 1-13 art. 21176.[citado 2026 maio 01 ] Available from: https://dx.doi.org/10.1038/s41598-024-71777-6

  • 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

    Source: Journal of Molecular Liquids. Unidade: IQ

    Subjects: FULERENO, COMPOSTOS ORGÂNICOS, COMPOSTOS HETEROCÍCLICOS

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      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: 01 maio 2026.

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      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 2026 maio 01 ] 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 2026 maio 01 ] Available from: https://dx.doi.org/10.1016/j.molliq.2023.123569

  • Artigo de periodico

    Effect of drying methods on the structure and properties of bacterial nanocellulose/MoS2 hybrid gel membranes and sphere-like particles for enhanced adsorption and photocatalytic applications (2024)

    Marchiori, Leonardo; Santos, Leonardo Souza; Schuler, Thiago; Bernardes, Joseane Caroline; Mattos, Bianca Oliveira ; Onishi, Bruno Seiki Domingos; Bortoletto-Santos, Ricardo; Rodrigues Filho, Ubirajara Pereira ; Domeneguetti, Rafael Romano; Ullah, Sajjad; Rambo, Carlos Renato; Ferreira Neto, Elias Paiva ; Ribeiro, Sidney José Lima

    Source: Journal of Sol-Gel Science and Technology. Unidades: IQSC, EESC

    Subjects: SECAGEM, FOTOCATÁLISE

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    • ABNT

      MARCHIORI, Leonardo et al. Effect of drying methods on the structure and properties of bacterial nanocellulose/MoS2 hybrid gel membranes and sphere-like particles for enhanced adsorption and photocatalytic applications. Journal of Sol-Gel Science and Technology, v. 110, p. 635-653, 2024Tradução . . Disponível em: https://doi.org/10.1007/s10971-024-06380-2. Acesso em: 01 maio 2026.

    • APA

      Marchiori, L., Santos, L. S., Schuler, T., Bernardes, J. C., Mattos, B. O., Onishi, B. S. D., et al. (2024). Effect of drying methods on the structure and properties of bacterial nanocellulose/MoS2 hybrid gel membranes and sphere-like particles for enhanced adsorption and photocatalytic applications. Journal of Sol-Gel Science and Technology, 110, 635-653. doi:10.1007/s10971-024-06380-2

    • NLM

      Marchiori L, Santos LS, Schuler T, Bernardes JC, Mattos BO, Onishi BSD, Bortoletto-Santos R, Rodrigues Filho UP, Domeneguetti RR, Ullah S, Rambo CR, Ferreira Neto EP, Ribeiro SJL. Effect of drying methods on the structure and properties of bacterial nanocellulose/MoS2 hybrid gel membranes and sphere-like particles for enhanced adsorption and photocatalytic applications [Internet]. Journal of Sol-Gel Science and Technology. 2024 ; 110 635-653.[citado 2026 maio 01 ] Available from: https://doi.org/10.1007/s10971-024-06380-2

    • Vancouver

      Marchiori L, Santos LS, Schuler T, Bernardes JC, Mattos BO, Onishi BSD, Bortoletto-Santos R, Rodrigues Filho UP, Domeneguetti RR, Ullah S, Rambo CR, Ferreira Neto EP, Ribeiro SJL. Effect of drying methods on the structure and properties of bacterial nanocellulose/MoS2 hybrid gel membranes and sphere-like particles for enhanced adsorption and photocatalytic applications [Internet]. Journal of Sol-Gel Science and Technology. 2024 ; 110 635-653.[citado 2026 maio 01 ] Available from: https://doi.org/10.1007/s10971-024-06380-2

  • Artigo de periodico

    Impact of extended π-conjugated acceptor moieties on non-linear optical behavior in polar medium for designed 4,4-dimethyl-4H-indeno[1,2-b] thiophene based materials (2024)

    Khalid, Muhammad; Wu, Gang; Umber, Areeha; Khan, Mashal; Braga, Ataualpa Albert Carmo ; Alhokbany, Norah; Ojha, Suvash Chandra

    Source: Journal of Molecular Liquids. Unidade: IQ

    Subjects: COMPOSTOS ORGÂNICOS, MATERIAIS ÓPTICOS

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    • ABNT

      KHALID, Muhammad et al. Impact of extended π-conjugated acceptor moieties on non-linear optical behavior in polar medium for designed 4,4-dimethyl-4H-indeno[1,2-b] thiophene based materials. Journal of Molecular Liquids, v. 401, p. 1-13 art. 124608, 2024Tradução . . Disponível em: https://dx.doi.org/10.1016/j.molliq.2024.124608. Acesso em: 01 maio 2026.

    • APA

      Khalid, M., Wu, G., Umber, A., Khan, M., Braga, A. A. C., Alhokbany, N., & Ojha, S. C. (2024). Impact of extended π-conjugated acceptor moieties on non-linear optical behavior in polar medium for designed 4,4-dimethyl-4H-indeno[1,2-b] thiophene based materials. Journal of Molecular Liquids, 401, 1-13 art. 124608. doi:10.1016/j.molliq.2024.124608

    • NLM

      Khalid M, Wu G, Umber A, Khan M, Braga AAC, Alhokbany N, Ojha SC. Impact of extended π-conjugated acceptor moieties on non-linear optical behavior in polar medium for designed 4,4-dimethyl-4H-indeno[1,2-b] thiophene based materials [Internet]. Journal of Molecular Liquids. 2024 ; 401 1-13 art. 124608.[citado 2026 maio 01 ] Available from: https://dx.doi.org/10.1016/j.molliq.2024.124608

    • Vancouver

      Khalid M, Wu G, Umber A, Khan M, Braga AAC, Alhokbany N, Ojha SC. Impact of extended π-conjugated acceptor moieties on non-linear optical behavior in polar medium for designed 4,4-dimethyl-4H-indeno[1,2-b] thiophene based materials [Internet]. Journal of Molecular Liquids. 2024 ; 401 1-13 art. 124608.[citado 2026 maio 01 ] Available from: https://dx.doi.org/10.1016/j.molliq.2024.124608

  • Artigo de periodico

    Theoretical approach towards benzodithiophene-based chromophores with extended acceptors for prediction of efficient nonlinear optical behaviour (2024)

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

    Source: Arabian Journal for Science and Engineering. Unidade: IQ

    Assunto: QUÍMICA QUÂNTICA

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    • ABNT

      KHALID, Muhammad et al. Theoretical approach towards benzodithiophene-based chromophores with extended acceptors for prediction of efficient nonlinear optical behaviour. Arabian Journal for Science and Engineering, v. 49, p. 339–359, 2024Tradução . . Disponível em: https://doi.org/10.1007/s13369-023-08136-6. Acesso em: 01 maio 2026.

    • APA

      Khalid, M., Maqsood, R., Shafiq, I., Baby, R., Asghar, M. A., Ahmed, S., et al. (2024). Theoretical approach towards benzodithiophene-based chromophores with extended acceptors for prediction of efficient nonlinear optical behaviour. Arabian Journal for Science and Engineering, 49, 339–359. doi:10.1007/s13369-023-08136-6

    • NLM

      Khalid M, Maqsood R, Shafiq I, Baby R, Asghar MA, Ahmed S, Alshehri SM, Braga AAC. Theoretical approach towards benzodithiophene-based chromophores with extended acceptors for prediction of efficient nonlinear optical behaviour [Internet]. Arabian Journal for Science and Engineering. 2024 ; 49 339–359.[citado 2026 maio 01 ] Available from: https://doi.org/10.1007/s13369-023-08136-6

    • Vancouver

      Khalid M, Maqsood R, Shafiq I, Baby R, Asghar MA, Ahmed S, Alshehri SM, Braga AAC. Theoretical approach towards benzodithiophene-based chromophores with extended acceptors for prediction of efficient nonlinear optical behaviour [Internet]. Arabian Journal for Science and Engineering. 2024 ; 49 339–359.[citado 2026 maio 01 ] Available from: https://doi.org/10.1007/s13369-023-08136-6

  • Artigo de periodico

    Tuning the photovoltaic potential of thiazole based materials via incorporation of selenophene and electron acceptors rings at peripheral positions: a DFT approach (2024)

    Khalid, Muhammad ; Jamal, Sadia; Braga, Ataualpa Albert Carmo ; Haroon, Muhammad ; Alotaibi, Rajeh; Chen, Ke

    Source: Journal of Saudi Chemical Society. Unidade: IQ

    Subjects: ORBITAL MOLECULAR, CONVERSÃO DE ENERGIA ELÉTRICA, CÉLULAS SOLARES

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    • ABNT

      KHALID, Muhammad et al. Tuning the photovoltaic potential of thiazole based materials via incorporation of selenophene and electron acceptors rings at peripheral positions: a DFT approach. Journal of Saudi Chemical Society, v. 28, p. 1-14 art. 101903, 2024Tradução . . Disponível em: https://dx.doi.org/10.1016/j.jscs.2024.101903. Acesso em: 01 maio 2026.

    • APA

      Khalid, M., Jamal, S., Braga, A. A. C., Haroon, M., Alotaibi, R., & Chen, K. (2024). Tuning the photovoltaic potential of thiazole based materials via incorporation of selenophene and electron acceptors rings at peripheral positions: a DFT approach. Journal of Saudi Chemical Society, 28, 1-14 art. 101903. doi:10.1016/j.jscs.2024.101903

    • NLM

      Khalid M, Jamal S, Braga AAC, Haroon M, Alotaibi R, Chen K. Tuning the photovoltaic potential of thiazole based materials via incorporation of selenophene and electron acceptors rings at peripheral positions: a DFT approach [Internet]. Journal of Saudi Chemical Society. 2024 ; 28 1-14 art. 101903.[citado 2026 maio 01 ] Available from: https://dx.doi.org/10.1016/j.jscs.2024.101903

    • Vancouver

      Khalid M, Jamal S, Braga AAC, Haroon M, Alotaibi R, Chen K. Tuning the photovoltaic potential of thiazole based materials via incorporation of selenophene and electron acceptors rings at peripheral positions: a DFT approach [Internet]. Journal of Saudi Chemical Society. 2024 ; 28 1-14 art. 101903.[citado 2026 maio 01 ] Available from: https://dx.doi.org/10.1016/j.jscs.2024.101903

  • Artigo de periodico

    Exploration of the effect of multiple acceptor and π–spacer moieties coupled to indolonaphthyridine core for promising organic photovoltaic properties: a first principles framework (2024)

    Khan, Mashal; khalid, Muhammad; Murtaza, Shahzad; Braga, Ataualpa Albert Carmo ; Alrashidi, Khalid Abdullah; Ahmed, Sarfraz

    Source: Scientific Reports. Unidade: IQ

    Subjects: CÉLULAS SOLARES, FULERENO

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    • ABNT

      KHAN, Mashal et al. Exploration of the effect of multiple acceptor and π–spacer moieties coupled to indolonaphthyridine core for promising organic photovoltaic properties: a first principles framework. Scientific Reports, v. 14, p. 1-21 art. 19820, 2024Tradução . . Disponível em: https://dx.doi.org/10.1038/s41598-024-70457-9. Acesso em: 01 maio 2026.

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      Khan, M., khalid, M., Murtaza, S., Braga, A. A. C., Alrashidi, K. A., & Ahmed, S. (2024). Exploration of the effect of multiple acceptor and π–spacer moieties coupled to indolonaphthyridine core for promising organic photovoltaic properties: a first principles framework. Scientific Reports, 14, 1-21 art. 19820. doi:10.1038/s41598-024-70457-9

    • NLM

      Khan M, khalid M, Murtaza S, Braga AAC, Alrashidi KA, Ahmed S. Exploration of the effect of multiple acceptor and π–spacer moieties coupled to indolonaphthyridine core for promising organic photovoltaic properties: a first principles framework [Internet]. Scientific Reports. 2024 ; 14 1-21 art. 19820.[citado 2026 maio 01 ] Available from: https://dx.doi.org/10.1038/s41598-024-70457-9

    • Vancouver

      Khan M, khalid M, Murtaza S, Braga AAC, Alrashidi KA, Ahmed S. Exploration of the effect of multiple acceptor and π–spacer moieties coupled to indolonaphthyridine core for promising organic photovoltaic properties: a first principles framework [Internet]. Scientific Reports. 2024 ; 14 1-21 art. 19820.[citado 2026 maio 01 ] Available from: https://dx.doi.org/10.1038/s41598-024-70457-9

  • Artigo de periodico

    Synergistic charge-transfer dynamics of rigid fused and unfused backbone with donors lead to promising photovoltaic properties of diazaborinine-based chromophores (2024)

    khalid, Muhammad; Zafar, Maria; Shafiq, Iqra; Braga, Ataualpa Albert Carmo ; Haroon, Muhammad; Ahamad, Tansir

    Source: Materials Science in Semiconductor Processing. Unidade: IQ

    Assunto: CÉLULAS SOLARES

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    • ABNT

      KHALID, Muhammad et al. Synergistic charge-transfer dynamics of rigid fused and unfused backbone with donors lead to promising photovoltaic properties of diazaborinine-based chromophores. Materials Science in Semiconductor Processing, v. 182, p. 1-16 art. 108695, 2024Tradução . . Disponível em: https://dx.doi.org/10.1016/j.mssp.2024.108695. Acesso em: 01 maio 2026.

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      khalid, M., Zafar, M., Shafiq, I., Braga, A. A. C., Haroon, M., & Ahamad, T. (2024). Synergistic charge-transfer dynamics of rigid fused and unfused backbone with donors lead to promising photovoltaic properties of diazaborinine-based chromophores. Materials Science in Semiconductor Processing, 182, 1-16 art. 108695. doi:10.1016/j.mssp.2024.108695

    • NLM

      khalid M, Zafar M, Shafiq I, Braga AAC, Haroon M, Ahamad T. Synergistic charge-transfer dynamics of rigid fused and unfused backbone with donors lead to promising photovoltaic properties of diazaborinine-based chromophores [Internet]. Materials Science in Semiconductor Processing. 2024 ; 182 1-16 art. 108695.[citado 2026 maio 01 ] Available from: https://dx.doi.org/10.1016/j.mssp.2024.108695

    • Vancouver

      khalid M, Zafar M, Shafiq I, Braga AAC, Haroon M, Ahamad T. Synergistic charge-transfer dynamics of rigid fused and unfused backbone with donors lead to promising photovoltaic properties of diazaborinine-based chromophores [Internet]. Materials Science in Semiconductor Processing. 2024 ; 182 1-16 art. 108695.[citado 2026 maio 01 ] Available from: https://dx.doi.org/10.1016/j.mssp.2024.108695

  • Artigo de periodico

    Facile synthesis, spectroscopic and nonlinear optical insights of Hydrazinyl-based functional materials: experimental and DFT approach (2024)

    Mehmood, Hasnain; Akhtar, Tashfeen ; Haroon, Muhammad; khalid, Muhammad; Woodward, Simon; Shafiq, Iqra ; Braga, Ataualpa Albert Carmo ; Alhokbany, Norah

    Source: Polycyclic Aromatic Compounds. Unidade: IQ

    Subjects: QUÍMICA QUÂNTICA, ESPECTROSCOPIA

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      MEHMOOD, Hasnain et al. Facile synthesis, spectroscopic and nonlinear optical insights of Hydrazinyl-based functional materials: experimental and DFT approach. Polycyclic Aromatic Compounds, v. 44, n. 5, p. 3456–3475, 2024Tradução . . Disponível em: https://dx.doi.org/10.1080/10406638.2023.2235871. Acesso em: 01 maio 2026.

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      Mehmood, H., Akhtar, T., Haroon, M., khalid, M., Woodward, S., Shafiq, I., et al. (2024). Facile synthesis, spectroscopic and nonlinear optical insights of Hydrazinyl-based functional materials: experimental and DFT approach. Polycyclic Aromatic Compounds, 44( 5), 3456–3475. doi:10.1080/10406638.2023.2235871

    • NLM

      Mehmood H, Akhtar T, Haroon M, khalid M, Woodward S, Shafiq I, Braga AAC, Alhokbany N. Facile synthesis, spectroscopic and nonlinear optical insights of Hydrazinyl-based functional materials: experimental and DFT approach [Internet]. Polycyclic Aromatic Compounds. 2024 ; 44( 5): 3456–3475.[citado 2026 maio 01 ] Available from: https://dx.doi.org/10.1080/10406638.2023.2235871

    • Vancouver

      Mehmood H, Akhtar T, Haroon M, khalid M, Woodward S, Shafiq I, Braga AAC, Alhokbany N. Facile synthesis, spectroscopic and nonlinear optical insights of Hydrazinyl-based functional materials: experimental and DFT approach [Internet]. Polycyclic Aromatic Compounds. 2024 ; 44( 5): 3456–3475.[citado 2026 maio 01 ] Available from: https://dx.doi.org/10.1080/10406638.2023.2235871

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