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Artigo de periodico
Enhancing the photovoltaic properties via incorporation of selenophene units in organic chromophores with A2-π2-A1-π1-A2 configuration: a DFT-based exploration (2023)
Arshad, Muhammad Nadeem ; Shafiq, Iqra ; Khalid, Muhammad ; Asad, Mohammad; Asiri, Abdullah M ; Alotaibi, Maha M; Braga, Ataualpa Albert Carmo ; Khan, Anish ; Alamry, Khalid A
Source: Polymers. Unidade: IQ
Subjects: CÉLULAS SOLARES, CONVERSÃO DE ENERGIA ELÉTRICA
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ABNT
ARSHAD, Muhammad Nadeem et al. Enhancing the photovoltaic properties via incorporation of selenophene units in organic chromophores with A2-π2-A1-π1-A2 configuration: a DFT-based exploration. Polymers, v. 15, p. 19 art. 1508, 2023Tradução . . Disponível em: https://doi.org/10.3390/polym15061508. Acesso em: 28 maio 2024.
APA
Arshad, M. N., Shafiq, I., Khalid, M., Asad, M., Asiri, A. M., Alotaibi, M. M., et al. (2023). Enhancing the photovoltaic properties via incorporation of selenophene units in organic chromophores with A2-π2-A1-π1-A2 configuration: a DFT-based exploration. Polymers, 15, 19 art. 1508. doi:10.3390/polym15061508
NLM
Arshad MN, Shafiq I, Khalid M, Asad M, Asiri AM, Alotaibi MM, Braga AAC, Khan A, Alamry KA. Enhancing the photovoltaic properties via incorporation of selenophene units in organic chromophores with A2-π2-A1-π1-A2 configuration: a DFT-based exploration [Internet]. Polymers. 2023 ; 15 19 art. 1508.[citado 2024 maio 28 ] Available from: https://doi.org/10.3390/polym15061508
Vancouver
Arshad MN, Shafiq I, Khalid M, Asad M, Asiri AM, Alotaibi MM, Braga AAC, Khan A, Alamry KA. Enhancing the photovoltaic properties via incorporation of selenophene units in organic chromophores with A2-π2-A1-π1-A2 configuration: a DFT-based exploration [Internet]. Polymers. 2023 ; 15 19 art. 1508.[citado 2024 maio 28 ] Available from: https://doi.org/10.3390/polym15061508
Artigo de periodico
A theoretical approach towards designing of banana shaped non‑fullerene chromophores using efficient acceptors moieties: exploration of their NLO response properties (2023)
Khalid, Muhammad ; Naseer, Samran; Tahir, Muhammad Suleman; Shafiq, Iqra ; Munawar, Khurram Shahzad ; Morais, Sara Figueirêdo de Alcântara ; Braga, Ataualpa Albert Carmo
Source: Optical and Quantum Electronics. Unidade: IQ
Assunto: MATERIAIS ÓPTICOS
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ABNT
KHALID, Muhammad et al. A theoretical approach towards designing of banana shaped non‑fullerene chromophores using efficient acceptors moieties: exploration of their NLO response properties. Optical and Quantum Electronics, v. 55, p. 1-23, 2023Tradução . . Disponível em: https://doi.org/10.1007/s11082-022-04441-w. Acesso em: 28 maio 2024.
APA
Khalid, M., Naseer, S., Tahir, M. S., Shafiq, I., Munawar, K. S., Morais, S. F. de A., & Braga, A. A. C. (2023). A theoretical approach towards designing of banana shaped non‑fullerene chromophores using efficient acceptors moieties: exploration of their NLO response properties. Optical and Quantum Electronics, 55, 1-23. doi:10.1007/s11082-022-04441-w
NLM
Khalid M, Naseer S, Tahir MS, Shafiq I, Munawar KS, Morais SF de A, Braga AAC. A theoretical approach towards designing of banana shaped non‑fullerene chromophores using efficient acceptors moieties: exploration of their NLO response properties [Internet]. Optical and Quantum Electronics. 2023 ; 55 1-23.[citado 2024 maio 28 ] Available from: https://doi.org/10.1007/s11082-022-04441-w
Vancouver
Khalid M, Naseer S, Tahir MS, Shafiq I, Munawar KS, Morais SF de A, Braga AAC. A theoretical approach towards designing of banana shaped non‑fullerene chromophores using efficient acceptors moieties: exploration of their NLO response properties [Internet]. Optical and Quantum Electronics. 2023 ; 55 1-23.[citado 2024 maio 28 ] Available from: https://doi.org/10.1007/s11082-022-04441-w
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: 28 maio 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 maio 28 ] 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 maio 28 ] Available from: https://doi.org/10.1016/j.jscs.2023.101650
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: 28 maio 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 maio 28 ] 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 maio 28 ] Available from: https://doi.org/10.1016/j.jscs.2023.101683
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: 28 maio 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 maio 28 ] 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 maio 28 ] Available from: https://doi.org/10.1016/j.matchemphys.2023.128154
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: 28 maio 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 maio 28 ] 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 maio 28 ] Available from: https://submissao.cbcat.sbcat.org.br/index.php/2023-cbcat/article/view/182/137
Artigo de periodico
Synthesis and spectroscopic characterization of Nicotinaldehyde based derivatives: SC-XRD, linear and non-linear optical studies (2023)
Ahmed, Adnan; Adeel, Muhammad; Khan, Ilham; Khalid, Muhammad ; Raouf, Abdul; Aiman, Ume; Villinger, Alexander ; Braga, Ataualpa Albert Carmo ; Assiri, Mohammed A; Imran, Muhammad
Source: Journal of Molecular Structure. Unidade: IQ
Subjects: ESPECTROSCOPIA, DIFRAÇÃO POR RAIOS X
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ABNT
AHMED, Adnan et al. Synthesis and spectroscopic characterization of Nicotinaldehyde based derivatives: SC-XRD, linear and non-linear optical studies. Journal of Molecular Structure, v. 1273, p. 1-12 art. 134236, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2022.134236. Acesso em: 28 maio 2024.
APA
Ahmed, A., Adeel, M., Khan, I., Khalid, M., Raouf, A., Aiman, U., et al. (2023). Synthesis and spectroscopic characterization of Nicotinaldehyde based derivatives: SC-XRD, linear and non-linear optical studies. Journal of Molecular Structure, 1273, 1-12 art. 134236. doi:10.1016/j.molstruc.2022.134236
NLM
Ahmed A, Adeel M, Khan I, Khalid M, Raouf A, Aiman U, Villinger A, Braga AAC, Assiri MA, Imran M. Synthesis and spectroscopic characterization of Nicotinaldehyde based derivatives: SC-XRD, linear and non-linear optical studies [Internet]. Journal of Molecular Structure. 2023 ; 1273 1-12 art. 134236.[citado 2024 maio 28 ] Available from: https://doi.org/10.1016/j.molstruc.2022.134236
Vancouver
Ahmed A, Adeel M, Khan I, Khalid M, Raouf A, Aiman U, Villinger A, Braga AAC, Assiri MA, Imran M. Synthesis and spectroscopic characterization of Nicotinaldehyde based derivatives: SC-XRD, linear and non-linear optical studies [Internet]. Journal of Molecular Structure. 2023 ; 1273 1-12 art. 134236.[citado 2024 maio 28 ] Available from: https://doi.org/10.1016/j.molstruc.2022.134236
Trabalho de evento-resumo
Estudo computacional da reação de anelação de N-metóxi amidas e arinas via ativação C-H catalisadas por paládio(II) (2023)
Alves, Erick Henrique de Souza ; Oliveira, Daniel Arley Santos ; Braga, Ataualpa Albert Carmo
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: 28 maio 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 maio 28 ] 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 maio 28 ] Available from: https://uspdigital.usp.br/siicusp/siicPublicacao.jsp?codmnu=7210
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
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ABNT
KHALID, Muhammad et al. Exploration of photovoltaic behavior of fused triphenylamine moiety as core donor with modified acceptors: star-shaped D-π-A conjugated systems. Materials Chemistry and Physics, v. 299, p. 1-13 art. 127528, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.matchemphys.2023.127528. Acesso em: 28 maio 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 maio 28 ] 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 maio 28 ] 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
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ABNT
KHAN, Bilal Ahmad et al. Exploring probenecid derived 1,3,4-Oxadiazole-phthalimide hybrid as α-Amylase inhibitor: synthesis, structural investigation, and molecular modeling. pharmaceuticals, v. 16, p. 1-19 art. 424, 2023Tradução . . Disponível em: https://doi.org/10.3390/ph16030424. Acesso em: 28 maio 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 maio 28 ] 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 maio 28 ] Available from: https://doi.org/10.3390/ph16030424
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
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ABNT
SHAFQ, Iqra et al. Influence of azacycle donor moieties on the photovoltaic properties of benzo[c][1,2,5]thiadiazole based organic systems: a DFT study. Scientifc Reports, v. 13, p. 1-12 art. 14630, 2023Tradução . . Disponível em: https://doi.org/10.1038/s41598-023-41679-0. Acesso em: 28 maio 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 maio 28 ] 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 maio 28 ] Available from: https://doi.org/10.1038/s41598-023-41679-0
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: 28 maio 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 maio 28 ] 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 maio 28 ] Available from: https://dx.doi.org/10.1016/j.jscs.2023.101707
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
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ABNT
KHALID, Muhammad et al. Structural modeling of 1,4 azaborine-based chromophores for organic solar cells using bracing units with benzothiophene-incorporated acceptors for exploration of photovoltaic behavior. Journal of Photochemistry & Photobiology, A: Chemistry, v. 445, p. 1-17, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.jphotochem.2023.115091. Acesso em: 28 maio 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 maio 28 ] 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 maio 28 ] Available from: https://doi.org/10.1016/j.jphotochem.2023.115091
Artigo de periodico
Experimental and quantum chemical studies of hydrazone-based organic chromophores: synthesis, spectroscopic and nonlinear optical properties (2023)
Haroon, Muhammad ; Akhtar, Tashfeen ; Khalid, Muhammad ; Mehmood, Hasnain; Braga, Ataualpa Albert Carmo ; Alhokbany, Norah ; Ahmed, Sarfraz
Source: ChemistrySelect. Unidade: IQ
Subjects: ESPECTROSCOPIA, MATERIAIS ÓPTICOS
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
HAROON, Muhammad et al. Experimental and quantum chemical studies of hydrazone-based organic chromophores: synthesis, spectroscopic and nonlinear optical properties. ChemistrySelect, v. 8, n. 28, p. 1-11, 2023Tradução . . Disponível em: https://doi.org/10.1002/slct.202301209. Acesso em: 28 maio 2024.
APA
Haroon, M., Akhtar, T., Khalid, M., Mehmood, H., Braga, A. A. C., Alhokbany, N., & Ahmed, S. (2023). Experimental and quantum chemical studies of hydrazone-based organic chromophores: synthesis, spectroscopic and nonlinear optical properties. ChemistrySelect, 8( 28), 1-11. doi:10.1002/slct.202301209
NLM
Haroon M, Akhtar T, Khalid M, Mehmood H, Braga AAC, Alhokbany N, Ahmed S. Experimental and quantum chemical studies of hydrazone-based organic chromophores: synthesis, spectroscopic and nonlinear optical properties [Internet]. ChemistrySelect. 2023 ; 8( 28): 1-11.[citado 2024 maio 28 ] Available from: https://doi.org/10.1002/slct.202301209
Vancouver
Haroon M, Akhtar T, Khalid M, Mehmood H, Braga AAC, Alhokbany N, Ahmed S. Experimental and quantum chemical studies of hydrazone-based organic chromophores: synthesis, spectroscopic and nonlinear optical properties [Internet]. ChemistrySelect. 2023 ; 8( 28): 1-11.[citado 2024 maio 28 ] Available from: https://doi.org/10.1002/slct.202301209
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
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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: 28 maio 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 maio 28 ] 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 maio 28 ] Available from: https://doi.org/10.1016/j.saa.2022.121964
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: 28 maio 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 maio 28 ] 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 maio 28 ] Available from: https://doi.org/10.1016/j.molstruc.2023.135948
Trabalho de evento-resumo
Computational study of the electrocatalytic CO2 reduction reaction using a non-noble metal complex (2023)
Garcia, Gabriela ; Braga, Ataualpa Albert Carmo
Source: Anais. Conference titles: Reunião Anual da Sociedade Brasileira de Química/RASBQ. Unidade: IQ
Subjects: ELETROCATÁLISE, DIÓXIDO DE CARBONO
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ABNT
GARCIA, Gabriela e BRAGA, Ataualpa Albert Carmo. Computational study of the electrocatalytic CO2 reduction reaction using a non-noble metal complex. 2023, Anais.. São Paulo: Sociedade Brasileira de Química/SBQ, 2023. Disponível em: https://www.sbq.org.br/46ra/anexos/anais-46rasbq.pdf. Acesso em: 28 maio 2024.
APA
Garcia, G., & Braga, A. A. C. (2023). Computational study of the electrocatalytic CO2 reduction reaction using a non-noble metal complex. In Anais. São Paulo: Sociedade Brasileira de Química/SBQ. Recuperado de https://www.sbq.org.br/46ra/anexos/anais-46rasbq.pdf
NLM
Garcia G, Braga AAC. Computational study of the electrocatalytic CO2 reduction reaction using a non-noble metal complex [Internet]. Anais. 2023 ;[citado 2024 maio 28 ] Available from: https://www.sbq.org.br/46ra/anexos/anais-46rasbq.pdf
Vancouver
Garcia G, Braga AAC. Computational study of the electrocatalytic CO2 reduction reaction using a non-noble metal complex [Internet]. Anais. 2023 ;[citado 2024 maio 28 ] Available from: https://www.sbq.org.br/46ra/anexos/anais-46rasbq.pdf
Artigo de periodico
Photovoltaic response promoted via intramolecular charge transfer in pyrazoline-based small molecular acceptors: efficient organic solar cells (2023)
Khalid, Muhammad; Mustafa, Ayesha; Ahmed, Sarfraz; Asghar, Muhammad Adnan; Ahamad, Tansir ; Braga, Ataualpa Albert Carmo ; Ojha, Suvash Chandra
Source: Arabian Journal of Chemistry. Unidade: IQ
Subjects: CÉLULAS SOLARES, QUÍMICA QUÂNTICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
KHALID, Muhammad et al. Photovoltaic response promoted via intramolecular charge transfer in pyrazoline-based small molecular acceptors: efficient organic solar cells. Arabian Journal of Chemistry, v. 16, p. 1-15 art. 105271, 2023Tradução . . Disponível em: https://dx.doi.org/10.1016/j.arabjc.2023.105271. Acesso em: 28 maio 2024.
APA
Khalid, M., Mustafa, A., Ahmed, S., Asghar, M. A., Ahamad, T., Braga, A. A. C., & Ojha, S. C. (2023). Photovoltaic response promoted via intramolecular charge transfer in pyrazoline-based small molecular acceptors: efficient organic solar cells. Arabian Journal of Chemistry, 16, 1-15 art. 105271. doi:10.1016/j.arabjc.2023.105271
NLM
Khalid M, Mustafa A, Ahmed S, Asghar MA, Ahamad T, Braga AAC, Ojha SC. Photovoltaic response promoted via intramolecular charge transfer in pyrazoline-based small molecular acceptors: efficient organic solar cells [Internet]. Arabian Journal of Chemistry. 2023 ; 16 1-15 art. 105271.[citado 2024 maio 28 ] Available from: https://dx.doi.org/10.1016/j.arabjc.2023.105271
Vancouver
Khalid M, Mustafa A, Ahmed S, Asghar MA, Ahamad T, Braga AAC, Ojha SC. Photovoltaic response promoted via intramolecular charge transfer in pyrazoline-based small molecular acceptors: efficient organic solar cells [Internet]. Arabian Journal of Chemistry. 2023 ; 16 1-15 art. 105271.[citado 2024 maio 28 ] Available from: https://dx.doi.org/10.1016/j.arabjc.2023.105271
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: 28 maio 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 maio 28 ] 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 maio 28 ] Available from: https://dx.doi.org/10.1021/acs.organomet.3c00264
Artigo de periodico
Exploring promising photovoltaic properties of dithiophene-based non-fullerene chromophores for efficient organic solar cells: a DFT approach (2023)
Shafiq, Iqra ; Khalid, Muhammad; Raza, Nadeem; Braga, Ataualpa Albert Carmo ; Khairy, Mohamed; Asghar, Muhammad Adnan
Source: Synthetic Metals. Unidade: IQ
Assunto: CÉLULAS SOLARES
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
SHAFIQ, Iqra et al. Exploring promising photovoltaic properties of dithiophene-based non-fullerene chromophores for efficient organic solar cells: a DFT approach. Synthetic Metals, v. 299, p. 1-12 art. 117455, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.synthmet.2023.117455. Acesso em: 28 maio 2024.
APA
Shafiq, I., Khalid, M., Raza, N., Braga, A. A. C., Khairy, M., & Asghar, M. A. (2023). Exploring promising photovoltaic properties of dithiophene-based non-fullerene chromophores for efficient organic solar cells: a DFT approach. Synthetic Metals, 299, 1-12 art. 117455. doi:10.1016/j.synthmet.2023.117455
NLM
Shafiq I, Khalid M, Raza N, Braga AAC, Khairy M, Asghar MA. Exploring promising photovoltaic properties of dithiophene-based non-fullerene chromophores for efficient organic solar cells: a DFT approach [Internet]. Synthetic Metals. 2023 ; 299 1-12 art. 117455.[citado 2024 maio 28 ] Available from: https://doi.org/10.1016/j.synthmet.2023.117455
Vancouver
Shafiq I, Khalid M, Raza N, Braga AAC, Khairy M, Asghar MA. Exploring promising photovoltaic properties of dithiophene-based non-fullerene chromophores for efficient organic solar cells: a DFT approach [Internet]. Synthetic Metals. 2023 ; 299 1-12 art. 117455.[citado 2024 maio 28 ] Available from: https://doi.org/10.1016/j.synthmet.2023.117455

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