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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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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: 26 jun. 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 jun. 26 ] 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 jun. 26 ] Available from: https://dx.doi.org/10.1016/j.molliq.2023.123569
Artigo de periodico
Influence of acceptors on the optical nonlinearity of 5H-4-oxa-1,6,9-trithia-cyclopenta[b]-as-indacene-based chromophores with a push–pull assembly: a DFT approach (2024)
Khalid, Muhammad ; Murtaza, Shahzad; Gull, Khansa; Abid, Saba; Imran, Muhammad ; Braga, Ataualpa Albert Carmo
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: 26 jun. 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 jun. 26 ] 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 jun. 26 ] Available from: https://dx.doi.org/10.1039/d3ra06673h
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: 26 jun. 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 jun. 26 ] 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 jun. 26 ] 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: 26 jun. 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 jun. 26 ] 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 jun. 26 ] 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: 26 jun. 2024.
APA
Khalid, M., Yasmeen, S., Ahmed, S., Asghar, M. A., Imran, M., Braga, A. A. C., & Ojha, S. C. (2024). Improved the optical nonlinearity of carbazole based chromophores via molecular engineering: a DFT approach. Arabian Journal of Chemistry, 17, 1-11 art. 105753. doi:10.1016/j.arabjc.2024.105753
NLM
Khalid M, Yasmeen S, Ahmed S, Asghar MA, Imran M, Braga AAC, Ojha SC. Improved the optical nonlinearity of carbazole based chromophores via molecular engineering: a DFT approach [Internet]. Arabian Journal of Chemistry. 2024 ; 17 1-11 art. 105753.[citado 2024 jun. 26 ] 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 jun. 26 ] Available from: https://dx.doi.org/10.1016/j.arabjc.2024.105753
Artigo de periodico
V-shaped naphthalene diimide-based chromophores: First theoretical framework for designing high efficacy of organic solar cells (2024)
Khalid, Muhammad; Shafiq, Iqra ; Imran, Muhammad ; Jawaria, Rifat; Braga, Ataualpa Albert Carmo
Source: Synthetic Metals. Unidade: IQ
Subjects: CÉLULAS SOLARES, ELÉTRONS
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ABNT
KHALID, Muhammad et al. V-shaped naphthalene diimide-based chromophores: First theoretical framework for designing high efficacy of organic solar cells. Synthetic Metals, v. 303, p. 1-10 art. 117548, 2024Tradução . . Disponível em: https://dx.doi.org/10.1016/j.synthmet.2024.117548. Acesso em: 26 jun. 2024.
APA
Khalid, M., Shafiq, I., Imran, M., Jawaria, R., & Braga, A. A. C. (2024). V-shaped naphthalene diimide-based chromophores: First theoretical framework for designing high efficacy of organic solar cells. Synthetic Metals, 303, 1-10 art. 117548. doi:10.1016/j.synthmet.2024.117548
NLM
Khalid M, Shafiq I, Imran M, Jawaria R, Braga AAC. V-shaped naphthalene diimide-based chromophores: First theoretical framework for designing high efficacy of organic solar cells [Internet]. Synthetic Metals. 2024 ; 303 1-10 art. 117548.[citado 2024 jun. 26 ] Available from: https://dx.doi.org/10.1016/j.synthmet.2024.117548
Vancouver
Khalid M, Shafiq I, Imran M, Jawaria R, Braga AAC. V-shaped naphthalene diimide-based chromophores: First theoretical framework for designing high efficacy of organic solar cells [Internet]. Synthetic Metals. 2024 ; 303 1-10 art. 117548.[citado 2024 jun. 26 ] Available from: https://dx.doi.org/10.1016/j.synthmet.2024.117548
Artigo de periodico
Palladium(II)-catalyzed annulation of N-methoxy amides and arynes: computational mechanistic insights and substituents effects (2024)
Alves, Erick Henrique de Souza ; Oliveira, Daniel Arley Santos ; Braga, Ataualpa Albert Carmo
Source: Journal of Molecular Modeling. Unidade: IQ
Subjects: PALÁDIO, SÍNTESE ORGÂNICA
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ABNT
ALVES, Erick Henrique de Souza e OLIVEIRA, Daniel Arley Santos e BRAGA, Ataualpa Albert Carmo. Palladium(II)-catalyzed annulation of N-methoxy amides and arynes: computational mechanistic insights and substituents effects. Journal of Molecular Modeling, v. 30, p. 1-11 art. 152, 2024Tradução . . Disponível em: https://dx.doi.org/10.1007/s00894-024-05930-3. Acesso em: 26 jun. 2024.
APA
Alves, E. H. de S., Oliveira, D. A. S., & Braga, A. A. C. (2024). Palladium(II)-catalyzed annulation of N-methoxy amides and arynes: computational mechanistic insights and substituents effects. Journal of Molecular Modeling, 30, 1-11 art. 152. doi:10.1007/s00894-024-05930-3
NLM
Alves EH de S, Oliveira DAS, Braga AAC. Palladium(II)-catalyzed annulation of N-methoxy amides and arynes: computational mechanistic insights and substituents effects [Internet]. Journal of Molecular Modeling. 2024 ; 30 1-11 art. 152.[citado 2024 jun. 26 ] Available from: https://dx.doi.org/10.1007/s00894-024-05930-3
Vancouver
Alves EH de S, Oliveira DAS, Braga AAC. Palladium(II)-catalyzed annulation of N-methoxy amides and arynes: computational mechanistic insights and substituents effects [Internet]. Journal of Molecular Modeling. 2024 ; 30 1-11 art. 152.[citado 2024 jun. 26 ] Available from: https://dx.doi.org/10.1007/s00894-024-05930-3
Artigo de periodico
The impact of structural modifications into benzodithiophene compounds on electronic and optical properties for organic solar cells (2023)
Shafiq, Iqra ; Khalid, Muhammad; Muneer, Malaika; Asghar, Muhammad Adnan ; Baby, Rabia; Ahmed, Sarfraz ; Ahamad, Tansir; Morais, Sara Figueirêdo de Alcântara ; Braga, Ataualpa Albert Carmo
Source: Materials Chemistry and Physics. Unidade: IQ
Subjects: CÉLULAS SOLARES, PROPRIEDADES ÓPTICAS DA SOLUÇÃO, FULERENO
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ABNT
SHAFIQ, Iqra et al. The impact of structural modifications into benzodithiophene compounds on electronic and optical properties for organic solar cells. Materials Chemistry and Physics, v. 308, p. 1-13 art. 128154, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.matchemphys.2023.128154. Acesso em: 26 jun. 2024.
APA
Shafiq, I., Khalid, M., Muneer, M., Asghar, M. A., Baby, R., Ahmed, S., et al. (2023). The impact of structural modifications into benzodithiophene compounds on electronic and optical properties for organic solar cells. Materials Chemistry and Physics, 308, 1-13 art. 128154. doi:10.1016/j.matchemphys.2023.128154
NLM
Shafiq I, Khalid M, Muneer M, Asghar MA, Baby R, Ahmed S, Ahamad T, Morais SF de A, Braga AAC. The impact of structural modifications into benzodithiophene compounds on electronic and optical properties for organic solar cells [Internet]. Materials Chemistry and Physics. 2023 ; 308 1-13 art. 128154.[citado 2024 jun. 26 ] Available from: https://doi.org/10.1016/j.matchemphys.2023.128154
Vancouver
Shafiq I, Khalid M, Muneer M, Asghar MA, Baby R, Ahmed S, Ahamad T, Morais SF de A, Braga AAC. The impact of structural modifications into benzodithiophene compounds on electronic and optical properties for organic solar cells [Internet]. Materials Chemistry and Physics. 2023 ; 308 1-13 art. 128154.[citado 2024 jun. 26 ] Available from: https://doi.org/10.1016/j.matchemphys.2023.128154
Artigo de periodico
Designing Strategies towards non-fullerene DTCR1 based compounds for the exploration of Non-linear optical behavior (2023)
khalid, Muhammad; Saeed, Zubaria; Shafiq, Iqra ; Asghar, Muhammad Adnan ; Braga, Ataualpa Albert Carmo ; Alshehri, Saad M; Akram, Muhammad Safwan ; Ojha, Suvash Chandra
Source: Journal of Saudi Chemical Society. Unidade: IQ
Subjects: ORBITAL MOLECULAR, FULERENO
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ABNT
KHALID, Muhammad et al. Designing Strategies towards non-fullerene DTCR1 based compounds for the exploration of Non-linear optical behavior. Journal of Saudi Chemical Society, v. 27, n. 4, p. 1-16 art. 101683, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.jscs.2023.101683. Acesso em: 26 jun. 2024.
APA
khalid, M., Saeed, Z., Shafiq, I., Asghar, M. A., Braga, A. A. C., Alshehri, S. M., et al. (2023). Designing Strategies towards non-fullerene DTCR1 based compounds for the exploration of Non-linear optical behavior. Journal of Saudi Chemical Society, 27( 4), 1-16 art. 101683. doi:10.1016/j.jscs.2023.101683
NLM
khalid M, Saeed Z, Shafiq I, Asghar MA, Braga AAC, Alshehri SM, Akram MS, Ojha SC. Designing Strategies towards non-fullerene DTCR1 based compounds for the exploration of Non-linear optical behavior [Internet]. Journal of Saudi Chemical Society. 2023 ; 27( 4): 1-16 art. 101683.[citado 2024 jun. 26 ] Available from: https://doi.org/10.1016/j.jscs.2023.101683
Vancouver
khalid M, Saeed Z, Shafiq I, Asghar MA, Braga AAC, Alshehri SM, Akram MS, Ojha SC. Designing Strategies towards non-fullerene DTCR1 based compounds for the exploration of Non-linear optical behavior [Internet]. Journal of Saudi Chemical Society. 2023 ; 27( 4): 1-16 art. 101683.[citado 2024 jun. 26 ] Available from: https://doi.org/10.1016/j.jscs.2023.101683
Artigo de periodico
Exploration of nonlinear optical behavior in asymmetric dithieno [3,2b:2′,3′d] pyrrole based push pull constrain: a theoretical approach (2023)
khalid, Muhammad; Hanif, Saira; Ahmed, Sarfraz; Asghar, Muhammad Adnan; Imran, Muhammad; Braga, Ataualpa Albert Carmo ; Ojha, Suvash Chandra
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: 26 jun. 2024.
APA
khalid, M., Hanif, S., Ahmed, S., Asghar, M. A., Imran, M., Braga, A. A. C., & Ojha, S. C. (2023). Exploration of nonlinear optical behavior in asymmetric dithieno [3,2b:2′,3′d] pyrrole based push pull constrain: a theoretical approach. Journal of Saudi Chemical Society, 27, 1-15 art. 101650. doi:10.1016/j.jscs.2023.101650
NLM
khalid M, Hanif S, Ahmed S, Asghar MA, Imran M, Braga AAC, Ojha SC. Exploration of nonlinear optical behavior in asymmetric dithieno [3,2b:2′,3′d] pyrrole based push pull constrain: a theoretical approach [Internet]. Journal of Saudi Chemical Society. 2023 ; 27 1-15 art. 101650.[citado 2024 jun. 26 ] Available from: https://doi.org/10.1016/j.jscs.2023.101650
Vancouver
khalid M, Hanif S, Ahmed S, Asghar MA, Imran M, Braga AAC, Ojha SC. Exploration of nonlinear optical behavior in asymmetric dithieno [3,2b:2′,3′d] pyrrole based push pull constrain: a theoretical approach [Internet]. Journal of Saudi Chemical Society. 2023 ; 27 1-15 art. 101650.[citado 2024 jun. 26 ] Available from: https://doi.org/10.1016/j.jscs.2023.101650
Trabalho de evento-resumo
Estudo teórico da hidroformilação do (1R,5R)-sabineno catalisada por ródio: desvendando o mecanismo de formação de aldeídos monoterpenos por meio de cálculos de DFT (2023)
Santos, Daniel de Carvalho; Vieira, Camila Grossi ; Braga, Ataualpa Albert Carmo
Source: Anais. Conference titles: Congresso Brasileiro de Catálise/CBCat. Unidade: IQ
Subjects: RÓDIO, ALDEÍDOS, CATÁLISE
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ABNT
SANTOS, Daniel de Carvalho e VIEIRA, Camila Grossi e BRAGA, Ataualpa Albert Carmo. Estudo teórico da hidroformilação do (1R,5R)-sabineno catalisada por ródio: desvendando o mecanismo de formação de aldeídos monoterpenos por meio de cálculos de DFT. 2023, Anais.. Rio de Janeiro: Sociedade Brasileira de Catálise/SBCat, 2023. Disponível em: https://submissao.cbcat.sbcat.org.br/index.php/2023-cbcat/article/view/182/137. Acesso em: 26 jun. 2024.
APA
Santos, D. de C., Vieira, C. G., & Braga, A. A. C. (2023). Estudo teórico da hidroformilação do (1R,5R)-sabineno catalisada por ródio: desvendando o mecanismo de formação de aldeídos monoterpenos por meio de cálculos de DFT. In Anais. Rio de Janeiro: Sociedade Brasileira de Catálise/SBCat. Recuperado de https://submissao.cbcat.sbcat.org.br/index.php/2023-cbcat/article/view/182/137
NLM
Santos D de C, Vieira CG, Braga AAC. Estudo teórico da hidroformilação do (1R,5R)-sabineno catalisada por ródio: desvendando o mecanismo de formação de aldeídos monoterpenos por meio de cálculos de DFT [Internet]. Anais. 2023 ;[citado 2024 jun. 26 ] Available from: https://submissao.cbcat.sbcat.org.br/index.php/2023-cbcat/article/view/182/137
Vancouver
Santos D de C, Vieira CG, Braga AAC. Estudo teórico da hidroformilação do (1R,5R)-sabineno catalisada por ródio: desvendando o mecanismo de formação de aldeídos monoterpenos por meio de cálculos de DFT [Internet]. Anais. 2023 ;[citado 2024 jun. 26 ] Available from: https://submissao.cbcat.sbcat.org.br/index.php/2023-cbcat/article/view/182/137
Trabalho de evento-resumo
Estudo computacional da reação de anelação de N-metóxi amidas e arinas via ativação C-H catalisadas por paládio(II) (2023)
Alves, Erick Henrique de Souza ; Oliveira, Daniel Arley Santos ; Braga, Ataualpa Albert Carmo
Source: Resumos. Conference titles: Simpósio Internacional de Iniciação Científica e Tecnológica da USP/SIICUSP. Unidade: IQ
Subjects: PALÁDIO, CATALISADORES
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ABNT
ALVES, Erick Henrique de Souza e OLIVEIRA, Daniel Arley Santos e BRAGA, Ataualpa Albert Carmo. Estudo computacional da reação de anelação de N-metóxi amidas e arinas via ativação C-H catalisadas por paládio(II). 2023, Anais.. São Paulo: Pró-Reitoria de Pesquisa da USP, 2023. Disponível em: https://uspdigital.usp.br/siicusp/siicPublicacao.jsp?codmnu=7210. Acesso em: 26 jun. 2024.
APA
Alves, E. H. de S., Oliveira, D. A. S., & Braga, A. A. C. (2023). Estudo computacional da reação de anelação de N-metóxi amidas e arinas via ativação C-H catalisadas por paládio(II). In Resumos. São Paulo: Pró-Reitoria de Pesquisa da USP. Recuperado de https://uspdigital.usp.br/siicusp/siicPublicacao.jsp?codmnu=7210
NLM
Alves EH de S, Oliveira DAS, Braga AAC. Estudo computacional da reação de anelação de N-metóxi amidas e arinas via ativação C-H catalisadas por paládio(II) [Internet]. Resumos. 2023 ;[citado 2024 jun. 26 ] Available from: https://uspdigital.usp.br/siicusp/siicPublicacao.jsp?codmnu=7210
Vancouver
Alves EH de S, Oliveira DAS, Braga AAC. Estudo computacional da reação de anelação de N-metóxi amidas e arinas via ativação C-H catalisadas por paládio(II) [Internet]. Resumos. 2023 ;[citado 2024 jun. 26 ] Available from: https://uspdigital.usp.br/siicusp/siicPublicacao.jsp?codmnu=7210
Artigo de periodico
A theoretical approach for exploration of non-linear optical amplification of fused azacycle donor based thiophene polymer functionalized chromophores (2023)
Shafiq, Iqra; Ishaque, Ume Habiba; Khalid, Muhammad ; Braga, Ataualpa Albert Carmo ; Asghar, Muhammad Adnan; Alshehri, Saad M; Ahmed, Sarfraz; Ojha, Suvash Chandra
Source: Journal of Saudi Chemical Society. Unidade: IQ
Assunto: QUÍMICA QUÂNTICA
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ABNT
SHAFIQ, Iqra et al. A theoretical approach for exploration of non-linear optical amplification of fused azacycle donor based thiophene polymer functionalized chromophores. Journal of Saudi Chemical Society, v. 27, p. 1-16 art. 101707, 2023Tradução . . Disponível em: https://dx.doi.org/10.1016/j.jscs.2023.101707. Acesso em: 26 jun. 2024.
APA
Shafiq, I., Ishaque, U. H., Khalid, M., Braga, A. A. C., Asghar, M. A., Alshehri, S. M., et al. (2023). A theoretical approach for exploration of non-linear optical amplification of fused azacycle donor based thiophene polymer functionalized chromophores. Journal of Saudi Chemical Society, 27, 1-16 art. 101707. doi:10.1016/j.jscs.2023.101707
NLM
Shafiq I, Ishaque UH, Khalid M, Braga AAC, Asghar MA, Alshehri SM, Ahmed S, Ojha SC. A theoretical approach for exploration of non-linear optical amplification of fused azacycle donor based thiophene polymer functionalized chromophores [Internet]. Journal of Saudi Chemical Society. 2023 ; 27 1-16 art. 101707.[citado 2024 jun. 26 ] Available from: https://dx.doi.org/10.1016/j.jscs.2023.101707
Vancouver
Shafiq I, Ishaque UH, Khalid M, Braga AAC, Asghar MA, Alshehri SM, Ahmed S, Ojha SC. A theoretical approach for exploration of non-linear optical amplification of fused azacycle donor based thiophene polymer functionalized chromophores [Internet]. Journal of Saudi Chemical Society. 2023 ; 27 1-16 art. 101707.[citado 2024 jun. 26 ] Available from: https://dx.doi.org/10.1016/j.jscs.2023.101707
Artigo de periodico
Exploration of photovoltaic behavior of fused triphenylamine moiety as core donor with modified acceptors: star-shaped D-π-A conjugated systems (2023)
Khalid, Muhammad; Ishaque, Ume Habiba; Asghar, Muhammad Adnan; Adeel, Muhammad; Alam, Mohammed Mujahid ; Imran, Muhammad ; Baby, Rabia; Braga, Ataualpa Albert Carmo ; Rehman, Muhammad Fayyaz ur ; Akram, Muhammad Safwan
Source: Materials Chemistry and Physics. Unidade: IQ
Subjects: CÉLULAS SOLARES, CRISE ENERGÉTICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
KHALID, Muhammad et al. Exploration of photovoltaic behavior of fused triphenylamine moiety as core donor with modified acceptors: star-shaped D-π-A conjugated systems. Materials Chemistry and Physics, v. 299, p. 1-13 art. 127528, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.matchemphys.2023.127528. Acesso em: 26 jun. 2024.
APA
Khalid, M., Ishaque, U. H., Asghar, M. A., Adeel, M., Alam, M. M., Imran, M., et al. (2023). Exploration of photovoltaic behavior of fused triphenylamine moiety as core donor with modified acceptors: star-shaped D-π-A conjugated systems. Materials Chemistry and Physics, 299, 1-13 art. 127528. doi:10.1016/j.matchemphys.2023.127528
NLM
Khalid M, Ishaque UH, Asghar MA, Adeel M, Alam MM, Imran M, Baby R, Braga AAC, Rehman MF ur, Akram MS. Exploration of photovoltaic behavior of fused triphenylamine moiety as core donor with modified acceptors: star-shaped D-π-A conjugated systems [Internet]. Materials Chemistry and Physics. 2023 ; 299 1-13 art. 127528.[citado 2024 jun. 26 ] Available from: https://doi.org/10.1016/j.matchemphys.2023.127528
Vancouver
Khalid M, Ishaque UH, Asghar MA, Adeel M, Alam MM, Imran M, Baby R, Braga AAC, Rehman MF ur, Akram MS. Exploration of photovoltaic behavior of fused triphenylamine moiety as core donor with modified acceptors: star-shaped D-π-A conjugated systems [Internet]. Materials Chemistry and Physics. 2023 ; 299 1-13 art. 127528.[citado 2024 jun. 26 ] Available from: https://doi.org/10.1016/j.matchemphys.2023.127528
Artigo de periodico
Exploring probenecid derived 1,3,4-Oxadiazole-phthalimide hybrid as α-Amylase inhibitor: synthesis, structural investigation, and molecular modeling (2023)
Khan, Bilal Ahmad ; Hamdani, Syeda Shamila; Khalid, Muhammad ; Ashfaq, Muhammad ; Munawar, Khurram Shahzad ; Tahir, Muhammad Nawaz ; Braga, Ataualpa Albert Carmo ; Shawky, Ahmed M ; Alqahtani, Alaa M ; Abourehab, Mohammed A. S ; Gabr, Gamal A ; Ibrahim, Mahmoud A. A ; Sidhom, Peter A
Source: pharmaceuticals. Unidade: IQ
Subjects: MODELAGEM MOLECULAR, DIABETES MELLITUS, DIFRAÇÃO POR RAIOS X
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
KHAN, Bilal Ahmad et al. Exploring probenecid derived 1,3,4-Oxadiazole-phthalimide hybrid as α-Amylase inhibitor: synthesis, structural investigation, and molecular modeling. pharmaceuticals, v. 16, p. 1-19 art. 424, 2023Tradução . . Disponível em: https://doi.org/10.3390/ph16030424. Acesso em: 26 jun. 2024.
APA
Khan, B. A., Hamdani, S. S., Khalid, M., Ashfaq, M., Munawar, K. S., Tahir, M. N., et al. (2023). Exploring probenecid derived 1,3,4-Oxadiazole-phthalimide hybrid as α-Amylase inhibitor: synthesis, structural investigation, and molecular modeling. pharmaceuticals, 16, 1-19 art. 424. doi:10.3390/ph16030424
NLM
Khan BA, Hamdani SS, Khalid M, Ashfaq M, Munawar KS, Tahir MN, Braga AAC, Shawky AM, Alqahtani AM, Abourehab MAS, Gabr GA, Ibrahim MAA, Sidhom PA. Exploring probenecid derived 1,3,4-Oxadiazole-phthalimide hybrid as α-Amylase inhibitor: synthesis, structural investigation, and molecular modeling [Internet]. pharmaceuticals. 2023 ; 16 1-19 art. 424.[citado 2024 jun. 26 ] Available from: https://doi.org/10.3390/ph16030424
Vancouver
Khan BA, Hamdani SS, Khalid M, Ashfaq M, Munawar KS, Tahir MN, Braga AAC, Shawky AM, Alqahtani AM, Abourehab MAS, Gabr GA, Ibrahim MAA, Sidhom PA. Exploring probenecid derived 1,3,4-Oxadiazole-phthalimide hybrid as α-Amylase inhibitor: synthesis, structural investigation, and molecular modeling [Internet]. pharmaceuticals. 2023 ; 16 1-19 art. 424.[citado 2024 jun. 26 ] Available from: https://doi.org/10.3390/ph16030424
Artigo de periodico
Structural modeling of 1,4 azaborine-based chromophores for organic solar cells using bracing units with benzothiophene-incorporated acceptors for exploration of photovoltaic behavior (2023)
Khalid, Muhammad ; Shafiq, Iqra ; Ojha, Suvash Chandra ; Braga, Ataualpa Albert Carmo ; Ahamad, Tansir ; Arshad, Muhammad
Source: Journal of Photochemistry & Photobiology, A: Chemistry. Unidade: IQ
Subjects: ÓPTICA ELETRÔNICA, CÉLULAS SOLARES
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
KHALID, Muhammad et al. Structural modeling of 1,4 azaborine-based chromophores for organic solar cells using bracing units with benzothiophene-incorporated acceptors for exploration of photovoltaic behavior. Journal of Photochemistry & Photobiology, A: Chemistry, v. 445, p. 1-17, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.jphotochem.2023.115091. Acesso em: 26 jun. 2024.
APA
Khalid, M., Shafiq, I., Ojha, S. C., Braga, A. A. C., Ahamad, T., & Arshad, M. (2023). Structural modeling of 1,4 azaborine-based chromophores for organic solar cells using bracing units with benzothiophene-incorporated acceptors for exploration of photovoltaic behavior. Journal of Photochemistry & Photobiology, A: Chemistry, 445, 1-17. doi:10.1016/j.jphotochem.2023.115091
NLM
Khalid M, Shafiq I, Ojha SC, Braga AAC, Ahamad T, Arshad M. Structural modeling of 1,4 azaborine-based chromophores for organic solar cells using bracing units with benzothiophene-incorporated acceptors for exploration of photovoltaic behavior [Internet]. Journal of Photochemistry & Photobiology, A: Chemistry. 2023 ; 445 1-17.[citado 2024 jun. 26 ] Available from: https://doi.org/10.1016/j.jphotochem.2023.115091
Vancouver
Khalid M, Shafiq I, Ojha SC, Braga AAC, Ahamad T, Arshad M. Structural modeling of 1,4 azaborine-based chromophores for organic solar cells using bracing units with benzothiophene-incorporated acceptors for exploration of photovoltaic behavior [Internet]. Journal of Photochemistry & Photobiology, A: Chemistry. 2023 ; 445 1-17.[citado 2024 jun. 26 ] Available from: https://doi.org/10.1016/j.jphotochem.2023.115091
Artigo de periodico
Influence of azacycle donor moieties on the photovoltaic properties of benzo[c][1,2,5]thiadiazole based organic systems: a DFT study (2023)
shafq, Iqra; Khalid, Muhammad; Asghar, Muhammad Adnan ; Baby, Rabia ; Braga, Ataualpa Albert Carmo ; Alshehri, Saad M; Ahmed, Sarfraz
Source: Scientifc Reports. Unidade: IQ
Subjects: MATERIAIS, ÓPTICA, FOTÔNICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
SHAFQ, Iqra et al. Influence of azacycle donor moieties on the photovoltaic properties of benzo[c][1,2,5]thiadiazole based organic systems: a DFT study. Scientifc Reports, v. 13, p. 1-12 art. 14630, 2023Tradução . . Disponível em: https://doi.org/10.1038/s41598-023-41679-0. Acesso em: 26 jun. 2024.
APA
shafq, I., Khalid, M., Asghar, M. A., Baby, R., Braga, A. A. C., Alshehri, S. M., & Ahmed, S. (2023). Influence of azacycle donor moieties on the photovoltaic properties of benzo[c][1,2,5]thiadiazole based organic systems: a DFT study. Scientifc Reports, 13, 1-12 art. 14630. doi:10.1038/s41598-023-41679-0
NLM
shafq I, Khalid M, Asghar MA, Baby R, Braga AAC, Alshehri SM, Ahmed S. Influence of azacycle donor moieties on the photovoltaic properties of benzo[c][1,2,5]thiadiazole based organic systems: a DFT study [Internet]. Scientifc Reports. 2023 ; 13 1-12 art. 14630.[citado 2024 jun. 26 ] Available from: https://doi.org/10.1038/s41598-023-41679-0
Vancouver
shafq I, Khalid M, Asghar MA, Baby R, Braga AAC, Alshehri SM, Ahmed S. Influence of azacycle donor moieties on the photovoltaic properties of benzo[c][1,2,5]thiadiazole based organic systems: a DFT study [Internet]. Scientifc Reports. 2023 ; 13 1-12 art. 14630.[citado 2024 jun. 26 ] Available from: https://doi.org/10.1038/s41598-023-41679-0
Artigo de periodico
Efficient synthesis of nicotinaldehyde-based crystalline organic derivatives: Comparative analysis between experimental and DFT study (2023)
Hussain, Shahid; Adeel, Muhammad; Khalid, Muhammad ; Aiman, Ume; Villinger, Alexander ; Braga, Ataualpa Albert Carmo ; Alshehri, Saad M ; Asghar, Muhammad Adnan
Source: Journal of Molecular Structure. Unidade: IQ
Assunto: QUÍMICA QUÂNTICA
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ABNT
HUSSAIN, Shahid et al. Efficient synthesis of nicotinaldehyde-based crystalline organic derivatives: Comparative analysis between experimental and DFT study. Journal of Molecular Structure, v. 1290, p. 1-12 art. 135948, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2023.135948. Acesso em: 26 jun. 2024.
APA
Hussain, S., Adeel, M., Khalid, M., Aiman, U., Villinger, A., Braga, A. A. C., et al. (2023). Efficient synthesis of nicotinaldehyde-based crystalline organic derivatives: Comparative analysis between experimental and DFT study. Journal of Molecular Structure, 1290, 1-12 art. 135948. doi:10.1016/j.molstruc.2023.135948
NLM
Hussain S, Adeel M, Khalid M, Aiman U, Villinger A, Braga AAC, Alshehri SM, Asghar MA. Efficient synthesis of nicotinaldehyde-based crystalline organic derivatives: Comparative analysis between experimental and DFT study [Internet]. Journal of Molecular Structure. 2023 ; 1290 1-12 art. 135948.[citado 2024 jun. 26 ] Available from: https://doi.org/10.1016/j.molstruc.2023.135948
Vancouver
Hussain S, Adeel M, Khalid M, Aiman U, Villinger A, Braga AAC, Alshehri SM, Asghar MA. Efficient synthesis of nicotinaldehyde-based crystalline organic derivatives: Comparative analysis between experimental and DFT study [Internet]. Journal of Molecular Structure. 2023 ; 1290 1-12 art. 135948.[citado 2024 jun. 26 ] Available from: https://doi.org/10.1016/j.molstruc.2023.135948
Artigo de periodico
A coumarin based Schiff Base: an effective colorimetric sensor for selective detection of F– ion in real samples and DFT studies (2023)
Ahmed, Nadeem; Zareen, Wajeeha; Shafiq, Zahid ; Morais, Sara Figueirêdo de Alcântara ; Khalid, Muhammad ; Braga, Ataualpa Albert Carmo ; Munawar, Khurram Shahzad ; Yong, Ye
Source: Spectrochimica Acta Part A. Unidade: IQ
Subjects: CIRCUITOS LÓGICOS, ÍONS
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
AHMED, Nadeem et al. A coumarin based Schiff Base: an effective colorimetric sensor for selective detection of F– ion in real samples and DFT studies. Spectrochimica Acta Part A, v. 286, p. 1-13 art. 121964, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.saa.2022.121964. Acesso em: 26 jun. 2024.
APA
Ahmed, N., Zareen, W., Shafiq, Z., Morais, S. F. de A., Khalid, M., Braga, A. A. C., et al. (2023). A coumarin based Schiff Base: an effective colorimetric sensor for selective detection of F– ion in real samples and DFT studies. Spectrochimica Acta Part A, 286, 1-13 art. 121964. doi:10.1016/j.saa.2022.121964
NLM
Ahmed N, Zareen W, Shafiq Z, Morais SF de A, Khalid M, Braga AAC, Munawar KS, Yong Y. A coumarin based Schiff Base: an effective colorimetric sensor for selective detection of F– ion in real samples and DFT studies [Internet]. Spectrochimica Acta Part A. 2023 ; 286 1-13 art. 121964.[citado 2024 jun. 26 ] Available from: https://doi.org/10.1016/j.saa.2022.121964
Vancouver
Ahmed N, Zareen W, Shafiq Z, Morais SF de A, Khalid M, Braga AAC, Munawar KS, Yong Y. A coumarin based Schiff Base: an effective colorimetric sensor for selective detection of F– ion in real samples and DFT studies [Internet]. Spectrochimica Acta Part A. 2023 ; 286 1-13 art. 121964.[citado 2024 jun. 26 ] Available from: https://doi.org/10.1016/j.saa.2022.121964
Artigo de periodico
Mechanisms for the oxidative addition of palladium(0) complexes to arenediazonium salts (2023)
Esteves, Henrique; Silva, Vitor Hugo Menezes da ; Correia, Carlos Roque Duarte ; Braga, Ataualpa Albert Carmo
Source: Organometallics. Unidade: IQ
Subjects: COMPOSTOS AROMÁTICOS, LIGANTES, PALÁDIO
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
ESTEVES, Henrique et al. Mechanisms for the oxidative addition of palladium(0) complexes to arenediazonium salts. Organometallics, v. 42, n. 22, p. 3178-3191, 2023Tradução . . Disponível em: https://dx.doi.org/10.1021/acs.organomet.3c00264. Acesso em: 26 jun. 2024.
APA
Esteves, H., Silva, V. H. M. da, Correia, C. R. D., & Braga, A. A. C. (2023). Mechanisms for the oxidative addition of palladium(0) complexes to arenediazonium salts. Organometallics, 42( 22), 3178-3191. doi:10.1021/acs.organomet.3c00264
NLM
Esteves H, Silva VHM da, Correia CRD, Braga AAC. Mechanisms for the oxidative addition of palladium(0) complexes to arenediazonium salts [Internet]. Organometallics. 2023 ; 42( 22): 3178-3191.[citado 2024 jun. 26 ] Available from: https://dx.doi.org/10.1021/acs.organomet.3c00264
Vancouver
Esteves H, Silva VHM da, Correia CRD, Braga AAC. Mechanisms for the oxidative addition of palladium(0) complexes to arenediazonium salts [Internet]. Organometallics. 2023 ; 42( 22): 3178-3191.[citado 2024 jun. 26 ] Available from: https://dx.doi.org/10.1021/acs.organomet.3c00264

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