ReP USP - Resultado da busca

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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ABNT
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: 27 nov. 2025.
APA
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 2025 nov. 27 ] 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 2025 nov. 27 ] Available from: https://dx.doi.org/10.1038/s41598-025-99585-6
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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ABNT
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: 27 nov. 2025.
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 2025 nov. 27 ] 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 2025 nov. 27 ] 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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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: 27 nov. 2025.
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 2025 nov. 27 ] 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 2025 nov. 27 ] Available from: https://dx.doi.org/10.1016/j.molliq.2023.123569
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: 27 nov. 2025.
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 2025 nov. 27 ] 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 2025 nov. 27 ] Available from: https://dx.doi.org/10.1016/j.molliq.2024.124608
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
Source: Journal of Saudi Chemical Society. Unidade: IQ
Subjects: 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: 27 nov. 2025.
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 2025 nov. 27 ] 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 2025 nov. 27 ] Available from: https://doi.org/10.1016/j.jscs.2023.101650
Artigo de periodico
Spectroscopic characterization and quantum-chemical analysis of hydrazinyl thiazol-4(5H)-one functionalized materials to predict their key electronic and non-linear optical behavior (2023)
Mehmood, Hasnain; Akhtar, Tashfeen ; Haroon, Muhammad; Khalid, Muhammad; Braga, Ataualpa Albert Carmo ; Woodward, Simon; Alshehri, Saad M; Asghar, Muhammad Adnan
Source: Journal of Molecular Structure. Unidade: IQ
Subjects: ESPECTROSCOPIA, COMPOSTOS ORGÂNICOS
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ABNT
MEHMOOD, Hasnain et al. Spectroscopic characterization and quantum-chemical analysis of hydrazinyl thiazol-4(5H)-one functionalized materials to predict their key electronic and non-linear optical behavior. Journal of Molecular Structure, v. 1288, p. 1-13 art. 135798, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2023.135798. Acesso em: 27 nov. 2025.
APA
Mehmood, H., Akhtar, T., Haroon, M., Khalid, M., Braga, A. A. C., Woodward, S., et al. (2023). Spectroscopic characterization and quantum-chemical analysis of hydrazinyl thiazol-4(5H)-one functionalized materials to predict their key electronic and non-linear optical behavior. Journal of Molecular Structure, 1288, 1-13 art. 135798. doi:10.1016/j.molstruc.2023.135798
NLM
Mehmood H, Akhtar T, Haroon M, Khalid M, Braga AAC, Woodward S, Alshehri SM, Asghar MA. Spectroscopic characterization and quantum-chemical analysis of hydrazinyl thiazol-4(5H)-one functionalized materials to predict their key electronic and non-linear optical behavior [Internet]. Journal of Molecular Structure. 2023 ; 1288 1-13 art. 135798.[citado 2025 nov. 27 ] Available from: https://doi.org/10.1016/j.molstruc.2023.135798
Vancouver
Mehmood H, Akhtar T, Haroon M, Khalid M, Braga AAC, Woodward S, Alshehri SM, Asghar MA. Spectroscopic characterization and quantum-chemical analysis of hydrazinyl thiazol-4(5H)-one functionalized materials to predict their key electronic and non-linear optical behavior [Internet]. Journal of Molecular Structure. 2023 ; 1288 1-13 art. 135798.[citado 2025 nov. 27 ] Available from: https://doi.org/10.1016/j.molstruc.2023.135798
Artigo de periodico
Experimental and quantum chemical approaches for Hydrazide-based crystalline organic chromophores: synthesis, SC-XRD, spectroscopic and nonlinear optical properties (2023)
Kausar, Naghmana ; Murtaza, Shahzad ; Khalid, Muhammad; Shoukat, Uzma; Asad, Mehwish; Arshad, Muhammad Nadeem ; Asiri, Abdullah M ; Braga, Ataualpa Albert Carmo
Source: Journal of Molecular Structure. Unidade: IQ
Subjects: COMPOSTOS ORGÂNICOS, QUÍMICA QUÂNTICA
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ABNT
KAUSAR, Naghmana et al. Experimental and quantum chemical approaches for Hydrazide-based crystalline organic chromophores: synthesis, SC-XRD, spectroscopic and nonlinear optical properties. Journal of Molecular Structure, v. 1272, p. 1-14 art. 134208, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2022.134208. Acesso em: 27 nov. 2025.
APA
Kausar, N., Murtaza, S., Khalid, M., Shoukat, U., Asad, M., Arshad, M. N., et al. (2023). Experimental and quantum chemical approaches for Hydrazide-based crystalline organic chromophores: synthesis, SC-XRD, spectroscopic and nonlinear optical properties. Journal of Molecular Structure, 1272, 1-14 art. 134208. doi:10.1016/j.molstruc.2022.134208
NLM
Kausar N, Murtaza S, Khalid M, Shoukat U, Asad M, Arshad MN, Asiri AM, Braga AAC. Experimental and quantum chemical approaches for Hydrazide-based crystalline organic chromophores: synthesis, SC-XRD, spectroscopic and nonlinear optical properties [Internet]. Journal of Molecular Structure. 2023 ; 1272 1-14 art. 134208.[citado 2025 nov. 27 ] Available from: https://doi.org/10.1016/j.molstruc.2022.134208
Vancouver
Kausar N, Murtaza S, Khalid M, Shoukat U, Asad M, Arshad MN, Asiri AM, Braga AAC. Experimental and quantum chemical approaches for Hydrazide-based crystalline organic chromophores: synthesis, SC-XRD, spectroscopic and nonlinear optical properties [Internet]. Journal of Molecular Structure. 2023 ; 1272 1-14 art. 134208.[citado 2025 nov. 27 ] Available from: https://doi.org/10.1016/j.molstruc.2022.134208
Artigo de periodico
Exploration of the interesting photovoltaic behavior of the fused benzothiophene dioxide moiety as a core donor with modification in acceptors for high-efficacy organic solar cells (2022)
Khalid, Muhammad; Anwer, Wajeeha; Adeel, Muhammad; Shafiq, Zahid ; Braga, Ataualpa Albert Carmo ; Assiri, Mohammed; Imran, Muhammad ; Ullah, Aman
Source: RSC advances. Unidade: IQ
Subjects: CÉLULAS SOLARES, COMPOSTOS ORGÂNICOS
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ABNT
KHALID, Muhammad et al. Exploration of the interesting photovoltaic behavior of the fused benzothiophene dioxide moiety as a core donor with modification in acceptors for high-efficacy organic solar cells. RSC advances, v. 12, p. 29010–29021 art. 29010, 2022Tradução . . Disponível em: https://doi.org/10.1039/d2ra04473k. Acesso em: 27 nov. 2025.
APA
Khalid, M., Anwer, W., Adeel, M., Shafiq, Z., Braga, A. A. C., Assiri, M., et al. (2022). Exploration of the interesting photovoltaic behavior of the fused benzothiophene dioxide moiety as a core donor with modification in acceptors for high-efficacy organic solar cells. RSC advances, 12, 29010–29021 art. 29010. doi:10.1039/d2ra04473k
NLM
Khalid M, Anwer W, Adeel M, Shafiq Z, Braga AAC, Assiri M, Imran M, Ullah A. Exploration of the interesting photovoltaic behavior of the fused benzothiophene dioxide moiety as a core donor with modification in acceptors for high-efficacy organic solar cells [Internet]. RSC advances. 2022 ; 12 29010–29021 art. 29010.[citado 2025 nov. 27 ] Available from: https://doi.org/10.1039/d2ra04473k
Vancouver
Khalid M, Anwer W, Adeel M, Shafiq Z, Braga AAC, Assiri M, Imran M, Ullah A. Exploration of the interesting photovoltaic behavior of the fused benzothiophene dioxide moiety as a core donor with modification in acceptors for high-efficacy organic solar cells [Internet]. RSC advances. 2022 ; 12 29010–29021 art. 29010.[citado 2025 nov. 27 ] Available from: https://doi.org/10.1039/d2ra04473k
Artigo de periodico
Synthesis, nonlinear optical analysis and DFT studies of D–π–D and A–π–A configured Schiff bases derived from bis-phenylenediamine (2022)
Farooq, Rabia; Batool, Zahra; Khalid, Muhammad; Khan, Muhammad Usman ; Braga, Ataualpa Albert Carmo ; Ragab, Ahmed H; Al-Mhyawi, Saedah R ; Muhammad, Gulzar ; Shafiq, Zahid
Source: RSC Advances. Unidade: IQ
Subjects: ANÁLISE ÓTICA, COMPOSTOS ORGÂNICOS
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ABNT
FAROOQ, Rabia et al. Synthesis, nonlinear optical analysis and DFT studies of D–π–D and A–π–A configured Schiff bases derived from bis-phenylenediamine. RSC Advances, v. 12, p. 32185–32196, 2022Tradução . . Disponível em: https://doi.org/10.1039/d2ra05844h. Acesso em: 27 nov. 2025.
APA
Farooq, R., Batool, Z., Khalid, M., Khan, M. U., Braga, A. A. C., Ragab, A. H., et al. (2022). Synthesis, nonlinear optical analysis and DFT studies of D–π–D and A–π–A configured Schiff bases derived from bis-phenylenediamine. RSC Advances, 12, 32185–32196. doi:10.1039/d2ra05844h
NLM
Farooq R, Batool Z, Khalid M, Khan MU, Braga AAC, Ragab AH, Al-Mhyawi SR, Muhammad G, Shafiq Z. Synthesis, nonlinear optical analysis and DFT studies of D–π–D and A–π–A configured Schiff bases derived from bis-phenylenediamine [Internet]. RSC Advances. 2022 ; 12 32185–32196.[citado 2025 nov. 27 ] Available from: https://doi.org/10.1039/d2ra05844h
Vancouver
Farooq R, Batool Z, Khalid M, Khan MU, Braga AAC, Ragab AH, Al-Mhyawi SR, Muhammad G, Shafiq Z. Synthesis, nonlinear optical analysis and DFT studies of D–π–D and A–π–A configured Schiff bases derived from bis-phenylenediamine [Internet]. RSC Advances. 2022 ; 12 32185–32196.[citado 2025 nov. 27 ] Available from: https://doi.org/10.1039/d2ra05844h
Artigo de periodico
First theoretical probe for efficient enhancement of optical nonlinearity via structural modifications into phenylene based D–π–A configured molecules (2022)
Khalid, Muhammad ; Naz, Salma; Mahmood, Khalid; Hussain, Shabbir ; Braga, Ataualpa Albert Carmo ; Hussain, Riaz ; Ragab, Ahmed H; Al-Mhyawi, Saedah R.
Source: RSC Advances. Unidade: IQ
Subjects: MATERIAIS ÓPTICOS, COMPOSTOS ORGÂNICOS
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ABNT
KHALID, Muhammad et al. First theoretical probe for efficient enhancement of optical nonlinearity via structural modifications into phenylene based D–π–A configured molecules. RSC Advances, v. 12, p. 31192–31204 : + Supplentary materials ( S1-S47), 2022Tradução . . Disponível em: https://doi.org/10.1039/d2ra04844b. Acesso em: 27 nov. 2025.
APA
Khalid, M., Naz, S., Mahmood, K., Hussain, S., Braga, A. A. C., Hussain, R., et al. (2022). First theoretical probe for efficient enhancement of optical nonlinearity via structural modifications into phenylene based D–π–A configured molecules. RSC Advances, 12, 31192–31204 : + Supplentary materials ( S1-S47). doi:10.1039/d2ra04844b
NLM
Khalid M, Naz S, Mahmood K, Hussain S, Braga AAC, Hussain R, Ragab AH, Al-Mhyawi SR. First theoretical probe for efficient enhancement of optical nonlinearity via structural modifications into phenylene based D–π–A configured molecules [Internet]. RSC Advances. 2022 ; 12 31192–31204 : + Supplentary materials ( S1-S47).[citado 2025 nov. 27 ] Available from: https://doi.org/10.1039/d2ra04844b
Vancouver
Khalid M, Naz S, Mahmood K, Hussain S, Braga AAC, Hussain R, Ragab AH, Al-Mhyawi SR. First theoretical probe for efficient enhancement of optical nonlinearity via structural modifications into phenylene based D–π–A configured molecules [Internet]. RSC Advances. 2022 ; 12 31192–31204 : + Supplentary materials ( S1-S47).[citado 2025 nov. 27 ] Available from: https://doi.org/10.1039/d2ra04844b

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