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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

    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: 15 nov. 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 nov. 15 ] 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 nov. 15 ] Available from: https://dx.doi.org/10.1016/j.molliq.2023.123569

  • Artigo de periodico

    Exploration of the influence of end-capped structural modification on photovoltaic properties of selenopheno-thiophene core based non-fullerene chromophores: a DFT study (2024)

    Sagir, Muhammad; Saqib, Muhammad ; Tahir, Muhammad Bilal; Hussain, Shabbir; Javed, Laiba; Shoukat, Uzma; khalid, Muhammad; Braga, Ataualpa Albert Carmo ; Ullah, Sami; Assiri, Mohammed Ali

    Source: Synthetic Metals. Unidade: IQ

    Subjects: CÉLULAS SOLARES, FULERENO

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      SAGIR, Muhammad et al. Exploration of the influence of end-capped structural modification on photovoltaic properties of selenopheno-thiophene core based non-fullerene chromophores: a DFT study. Synthetic Metals, v. 306, p. 1-13 art. 117620, 2024Tradução . . Disponível em: https://dx.doi.org/10.1016/j.synthmet.2024.117620. Acesso em: 15 nov. 2024.

    • APA

      Sagir, M., Saqib, M., Tahir, M. B., Hussain, S., Javed, L., Shoukat, U., et al. (2024). Exploration of the influence of end-capped structural modification on photovoltaic properties of selenopheno-thiophene core based non-fullerene chromophores: a DFT study. Synthetic Metals, 306, 1-13 art. 117620. doi:10.1016/j.synthmet.2024.117620

    • NLM

      Sagir M, Saqib M, Tahir MB, Hussain S, Javed L, Shoukat U, khalid M, Braga AAC, Ullah S, Assiri MA. Exploration of the influence of end-capped structural modification on photovoltaic properties of selenopheno-thiophene core based non-fullerene chromophores: a DFT study [Internet]. Synthetic Metals. 2024 ; 306 1-13 art. 117620.[citado 2024 nov. 15 ] Available from: https://dx.doi.org/10.1016/j.synthmet.2024.117620

    • Vancouver

      Sagir M, Saqib M, Tahir MB, Hussain S, Javed L, Shoukat U, khalid M, Braga AAC, Ullah S, Assiri MA. Exploration of the influence of end-capped structural modification on photovoltaic properties of selenopheno-thiophene core based non-fullerene chromophores: a DFT study [Internet]. Synthetic Metals. 2024 ; 306 1-13 art. 117620.[citado 2024 nov. 15 ] Available from: https://dx.doi.org/10.1016/j.synthmet.2024.117620

  • 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: 15 nov. 2024.

    • APA

      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 2024 nov. 15 ] 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 2024 nov. 15 ] Available from: https://dx.doi.org/10.1038/s41598-024-71777-6

  • 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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      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: 15 nov. 2024.

    • APA

      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 2024 nov. 15 ] 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 2024 nov. 15 ] Available from: https://dx.doi.org/10.1016/j.mssp.2024.108695

  • 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: 15 nov. 2024.

    • 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 2024 nov. 15 ] 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 2024 nov. 15 ] Available from: https://dx.doi.org/10.1016/j.jscs.2024.101903

  • Artigo de periodico

    Exploring the photovoltaic properties of naphthalene-1,5-diamine-based functionalized materials in aprotic polar medium: a combined experimental and DFT approach (2024)

    Shafiq, Iqra ; Khalid, Muhammad ; Jawaria, Rifat; Shafiq, Zahid ; Murtaza, Shahzad; Braga, Ataualpa Albert Carmo

    Source: RSC Advances. Unidade: IQ

    Subjects: CÉLULAS SOLARES, ESPECTROSCOPIA

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    • ABNT

      SHAFIQ, Iqra et al. Exploring the photovoltaic properties of naphthalene-1,5-diamine-based functionalized materials in aprotic polar medium: a combined experimental and DFT approach. RSC Advances, v. 14, n. 45, p. 33048–33060, 2024Tradução . . Disponível em: https://dx.doi.org/10.1039/d4ra03916e. Acesso em: 15 nov. 2024.

    • APA

      Shafiq, I., Khalid, M., Jawaria, R., Shafiq, Z., Murtaza, S., & Braga, A. A. C. (2024). Exploring the photovoltaic properties of naphthalene-1,5-diamine-based functionalized materials in aprotic polar medium: a combined experimental and DFT approach. RSC Advances, 14( 45), 33048–33060. doi:10.1039/d4ra03916e

    • NLM

      Shafiq I, Khalid M, Jawaria R, Shafiq Z, Murtaza S, Braga AAC. Exploring the photovoltaic properties of naphthalene-1,5-diamine-based functionalized materials in aprotic polar medium: a combined experimental and DFT approach [Internet]. RSC Advances. 2024 ; 14( 45): 33048–33060.[citado 2024 nov. 15 ] Available from: https://dx.doi.org/10.1039/d4ra03916e

    • Vancouver

      Shafiq I, Khalid M, Jawaria R, Shafiq Z, Murtaza S, Braga AAC. Exploring the photovoltaic properties of naphthalene-1,5-diamine-based functionalized materials in aprotic polar medium: a combined experimental and DFT approach [Internet]. RSC Advances. 2024 ; 14( 45): 33048–33060.[citado 2024 nov. 15 ] Available from: https://dx.doi.org/10.1039/d4ra03916e

  • 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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    • 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: 15 nov. 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 nov. 15 ] 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 nov. 15 ] 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

    Source: Industrial and Engineering Chemistry Research. Unidade: IQ

    Subjects: 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: 15 nov. 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 nov. 15 ] 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 nov. 15 ] Available from: https://dx.doi.org/10.1021/acs.iecr.3c04133

  • Artigo de periodico

    Unravelling the photovoltaic response of butterfly-shaped fulvene based chromophores with the influence of double acceptor moieties: a DFT approach (2024)

    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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    • ABNT

      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, 2024Tradução . . Disponível em: https://dx.doi.org/10.1016/j.jiec.2024.07.059. Acesso em: 15 nov. 2024.

    • APA

      Khalid, M., Kousar, S., Haq, S., Braga, A. A. C., Akram, M. Y., & Alotaibi, R. (2024). 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. 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. 2024 ;[citado 2024 nov. 15 ] 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. 2024 ;[citado 2024 nov. 15 ] Available from: https://dx.doi.org/10.1016/j.jiec.2024.07.059

  • Artigo de periodico

    An R-type hexagonal ferrite nanoparticles-based electrochemical sensor for Levofloxacin detection in pharmaceutical and clinical specimens (2024)

    Hussain, Sajjad ; Sadiq, Imran; Baig, Jameel Ahmed; Bertotti, Mauro ; Riaz, Saira

    Source: Microchemical Journal. Unidade: IQ

    Subjects: NANOPARTÍCULAS, ESPECTROSCOPIA

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      HUSSAIN, Sajjad et al. An R-type hexagonal ferrite nanoparticles-based electrochemical sensor for Levofloxacin detection in pharmaceutical and clinical specimens. Microchemical Journal, v. 201, p. 1-8 art. 110690, 2024Tradução . . Disponível em: https://dx.doi.org/10.1016/j.microc.2024.110690. Acesso em: 15 nov. 2024.

    • APA

      Hussain, S., Sadiq, I., Baig, J. A., Bertotti, M., & Riaz, S. (2024). An R-type hexagonal ferrite nanoparticles-based electrochemical sensor for Levofloxacin detection in pharmaceutical and clinical specimens. Microchemical Journal, 201, 1-8 art. 110690. doi:10.1016/j.microc.2024.110690

    • NLM

      Hussain S, Sadiq I, Baig JA, Bertotti M, Riaz S. An R-type hexagonal ferrite nanoparticles-based electrochemical sensor for Levofloxacin detection in pharmaceutical and clinical specimens [Internet]. Microchemical Journal. 2024 ; 201 1-8 art. 110690.[citado 2024 nov. 15 ] Available from: https://dx.doi.org/10.1016/j.microc.2024.110690

    • Vancouver

      Hussain S, Sadiq I, Baig JA, Bertotti M, Riaz S. An R-type hexagonal ferrite nanoparticles-based electrochemical sensor for Levofloxacin detection in pharmaceutical and clinical specimens [Internet]. Microchemical Journal. 2024 ; 201 1-8 art. 110690.[citado 2024 nov. 15 ] Available from: https://dx.doi.org/10.1016/j.microc.2024.110690

  • 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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      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: 15 nov. 2024.

    • 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 2024 nov. 15 ] 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 2024 nov. 15 ] Available from: https://dx.doi.org/10.1016/j.molliq.2024.124608

  • Artigo de periodico

    Amplifying the photovoltaic properties of tetrathiafulvalenes based materials by incorporation of small acceptors: a density functional theory approach (2024)

    khalid, Muhammad; Tariq, Ayesha; Braga, Ataualpa Albert Carmo ; Alotaibi, Rajeh; Ojha, Suvash Chandra

    Source: Scientific Reports. Unidade: IQ

    Subjects: COMPOSTOS AROMÁTICOS, CÉLULAS SOLARES, QUÍMICA TEÓRICA, ENGENHARIA QUÍMICA

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    • ABNT

      KHALID, Muhammad et al. Amplifying the photovoltaic properties of tetrathiafulvalenes based materials by incorporation of small acceptors: a density functional theory approach. Scientific Reports, v. 14, p. 1-15 art. 24213, 2024Tradução . . Disponível em: https://dx.doi.org/10.1038/s41598-024-74852-0. Acesso em: 15 nov. 2024.

    • APA

      khalid, M., Tariq, A., Braga, A. A. C., Alotaibi, R., & Ojha, S. C. (2024). Amplifying the photovoltaic properties of tetrathiafulvalenes based materials by incorporation of small acceptors: a density functional theory approach. Scientific Reports, 14, 1-15 art. 24213. doi:10.1038/s41598-024-74852-0

    • NLM

      khalid M, Tariq A, Braga AAC, Alotaibi R, Ojha SC. Amplifying the photovoltaic properties of tetrathiafulvalenes based materials by incorporation of small acceptors: a density functional theory approach [Internet]. Scientific Reports. 2024 ; 14 1-15 art. 24213.[citado 2024 nov. 15 ] Available from: https://dx.doi.org/10.1038/s41598-024-74852-0

    • Vancouver

      khalid M, Tariq A, Braga AAC, Alotaibi R, Ojha SC. Amplifying the photovoltaic properties of tetrathiafulvalenes based materials by incorporation of small acceptors: a density functional theory approach [Internet]. Scientific Reports. 2024 ; 14 1-15 art. 24213.[citado 2024 nov. 15 ] Available from: https://dx.doi.org/10.1038/s41598-024-74852-0

  • 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: 15 nov. 2024.

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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 2024 nov. 15 ] 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 2024 nov. 15 ] Available from: https://dx.doi.org/10.1038/s41598-024-70457-9

  • 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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    • ABNT

      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: 15 nov. 2024.

    • APA

      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 2024 nov. 15 ] 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 2024 nov. 15 ] Available from: https://dx.doi.org/10.1039/d4ra03170a

  • 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: 15 nov. 2024.

    • 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 2024 nov. 15 ] 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 2024 nov. 15 ] Available from: https://doi.org/10.1007/s13369-023-08136-6

  • 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

    Source: Arabian Journal of Chemistry. Unidade: IQ

    Subjects: 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: 15 nov. 2024.

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      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 nov. 15 ] 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 nov. 15 ] Available from: https://dx.doi.org/10.1016/j.arabjc.2024.105753

  • 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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    • ABNT

      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: 15 nov. 2024.

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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 2024 nov. 15 ] 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 2024 nov. 15 ] Available from: https://dx.doi.org/10.1080/10406638.2023.2235871

  • 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

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

    Subjects: 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: 15 nov. 2024.

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      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 nov. 15 ] 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 nov. 15 ] Available from: https://dx.doi.org/10.1016/j.jphotochem.2023.115279

  • Artigo de periodico

    Use of benzothiophene ring to improve the photovoltaic efficacy of cyanopyridinone-based organic chromophores: a DFT study (2024)

    Shafiq, Iqra; Khalid, Muhammad ; Maria, Gul; Raza, Nadeem; Braga, Ataualpa Albert Carmo ; Bullo, Saifullah ; Khairy, Mohamed

    Source: RSC Advances. Unidade: IQ

    Subjects: CRISE ENERGÉTICA, ENERGIA EÓLICA

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    • ABNT

      SHAFIQ, Iqra et al. Use of benzothiophene ring to improve the photovoltaic efficacy of cyanopyridinone-based organic chromophores: a DFT study. RSC Advances, v. 14, p. 12841-12852, 2024Tradução . . Disponível em: https://dx.doi.org/10.1039/d3ra06817j. Acesso em: 15 nov. 2024.

    • APA

      Shafiq, I., Khalid, M., Maria, G., Raza, N., Braga, A. A. C., Bullo, S., & Khairy, M. (2024). Use of benzothiophene ring to improve the photovoltaic efficacy of cyanopyridinone-based organic chromophores: a DFT study. RSC Advances, 14, 12841-12852. doi:10.1039/d3ra06817j

    • NLM

      Shafiq I, Khalid M, Maria G, Raza N, Braga AAC, Bullo S, Khairy M. Use of benzothiophene ring to improve the photovoltaic efficacy of cyanopyridinone-based organic chromophores: a DFT study [Internet]. RSC Advances. 2024 ; 14 12841-12852.[citado 2024 nov. 15 ] Available from: https://dx.doi.org/10.1039/d3ra06817j

    • Vancouver

      Shafiq I, Khalid M, Maria G, Raza N, Braga AAC, Bullo S, Khairy M. Use of benzothiophene ring to improve the photovoltaic efficacy of cyanopyridinone-based organic chromophores: a DFT study [Internet]. RSC Advances. 2024 ; 14 12841-12852.[citado 2024 nov. 15 ] Available from: https://dx.doi.org/10.1039/d3ra06817j

  • Artigo de periodico

    SC-XRD structural characterization, insights of key electronic, and nonlinear optical properties of dimethoxybenzenesulfonate crystals: a combine experimental and DFT approach (2024)

    Arshad, Muhammad Nadeem ; khalid, Muhammad; Sheikh, Tahir Ali ; Asad, Mohammad ; Alzahrani, Khalid A; Marwani, Hadi M; Braga, Ataualpa Albert Carmo

    Source: Journal of Molecular Structure. Unidade: IQ

    Subjects: ÓPTICA NÃO LINEAR, CLORETO, BENZENO

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    • ABNT

      ARSHAD, Muhammad Nadeem et al. SC-XRD structural characterization, insights of key electronic, and nonlinear optical properties of dimethoxybenzenesulfonate crystals: a combine experimental and DFT approach. Journal of Molecular Structure, v. 1314, p. 1-17 art. 138696, 2024Tradução . . Disponível em: https://dx.doi.org/10.1016/j.molstruc.2024.138696. Acesso em: 15 nov. 2024.

    • APA

      Arshad, M. N., khalid, M., Sheikh, T. A., Asad, M., Alzahrani, K. A., Marwani, H. M., & Braga, A. A. C. (2024). SC-XRD structural characterization, insights of key electronic, and nonlinear optical properties of dimethoxybenzenesulfonate crystals: a combine experimental and DFT approach. Journal of Molecular Structure, 1314, 1-17 art. 138696. doi:10.1016/j.molstruc.2024.138696

    • NLM

      Arshad MN, khalid M, Sheikh TA, Asad M, Alzahrani KA, Marwani HM, Braga AAC. SC-XRD structural characterization, insights of key electronic, and nonlinear optical properties of dimethoxybenzenesulfonate crystals: a combine experimental and DFT approach [Internet]. Journal of Molecular Structure. 2024 ; 1314 1-17 art. 138696.[citado 2024 nov. 15 ] Available from: https://dx.doi.org/10.1016/j.molstruc.2024.138696

    • Vancouver

      Arshad MN, khalid M, Sheikh TA, Asad M, Alzahrani KA, Marwani HM, Braga AAC. SC-XRD structural characterization, insights of key electronic, and nonlinear optical properties of dimethoxybenzenesulfonate crystals: a combine experimental and DFT approach [Internet]. Journal of Molecular Structure. 2024 ; 1314 1-17 art. 138696.[citado 2024 nov. 15 ] Available from: https://dx.doi.org/10.1016/j.molstruc.2024.138696

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