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Artigo de periodico
Novel fragrant aldehydes from (1R,5R)-sabinene: an experimental study supported by DFT calculations revealing an unusual hydroformylation mechanism (2025)
Santos, Daniel de Carvalho; Penido, Ricardo G; Rossi, Liane Marcia ; Santos, Eduardo N. dos; Braga, Ataualpa Albert Carmo ; Gusevskaya, Elena V; Vieira, Camila Grossi
Fonte: Catalysis Today. Unidade: IQ
Assuntos: RÓDIO, TERPENOS
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SANTOS, Daniel de Carvalho et al. Novel fragrant aldehydes from (1R,5R)-sabinene: an experimental study supported by DFT calculations revealing an unusual hydroformylation mechanism. Catalysis Today, v. 444, p. 1-11 art. 115018, 2025Tradução . . Disponível em: https://dx.doi.org/10.1016/j.cattod.2024.115018. Acesso em: 27 set. 2024.
APA
Santos, D. de C., Penido, R. G., Rossi, L. M., Santos, E. N. dos, Braga, A. A. C., Gusevskaya, E. V., & Vieira, C. G. (2025). Novel fragrant aldehydes from (1R,5R)-sabinene: an experimental study supported by DFT calculations revealing an unusual hydroformylation mechanism. Catalysis Today, 444, 1-11 art. 115018. doi:10.1016/j.cattod.2024.115018
NLM
Santos D de C, Penido RG, Rossi LM, Santos EN dos, Braga AAC, Gusevskaya EV, Vieira CG. Novel fragrant aldehydes from (1R,5R)-sabinene: an experimental study supported by DFT calculations revealing an unusual hydroformylation mechanism [Internet]. Catalysis Today. 2025 ; 444 1-11 art. 115018.[citado 2024 set. 27 ] Available from: https://dx.doi.org/10.1016/j.cattod.2024.115018
Vancouver
Santos D de C, Penido RG, Rossi LM, Santos EN dos, Braga AAC, Gusevskaya EV, Vieira CG. Novel fragrant aldehydes from (1R,5R)-sabinene: an experimental study supported by DFT calculations revealing an unusual hydroformylation mechanism [Internet]. Catalysis Today. 2025 ; 444 1-11 art. 115018.[citado 2024 set. 27 ] Available from: https://dx.doi.org/10.1016/j.cattod.2024.115018
Artigo de periodico
Synergistic charge-transfer dynamics of rigid fused and unfused backbone with donors lead to promising photovoltaic properties of diazaborinine-based chromophores (2024)
khalid, Muhammad; Zafar, Maria; Shafiq, Iqra; Braga, Ataualpa Albert Carmo ; Haroon, Muhammad; Ahamad, Tansir
Fonte: Materials Science in Semiconductor Processing. Unidade: IQ
Assunto: CÉLULAS SOLARES
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KHALID, Muhammad et al. Synergistic charge-transfer dynamics of rigid fused and unfused backbone with donors lead to promising photovoltaic properties of diazaborinine-based chromophores. Materials Science in Semiconductor Processing, v. 182, p. 1-16 art. 108695, 2024Tradução . . Disponível em: https://dx.doi.org/10.1016/j.mssp.2024.108695. Acesso em: 27 set. 2024.
APA
khalid, M., Zafar, M., Shafiq, I., Braga, A. A. C., Haroon, M., & Ahamad, T. (2024). Synergistic charge-transfer dynamics of rigid fused and unfused backbone with donors lead to promising photovoltaic properties of diazaborinine-based chromophores. Materials Science in Semiconductor Processing, 182, 1-16 art. 108695. doi:10.1016/j.mssp.2024.108695
NLM
khalid M, Zafar M, Shafiq I, Braga AAC, Haroon M, Ahamad T. Synergistic charge-transfer dynamics of rigid fused and unfused backbone with donors lead to promising photovoltaic properties of diazaborinine-based chromophores [Internet]. Materials Science in Semiconductor Processing. 2024 ; 182 1-16 art. 108695.[citado 2024 set. 27 ] Available from: https://dx.doi.org/10.1016/j.mssp.2024.108695
Vancouver
khalid M, Zafar M, Shafiq I, Braga AAC, Haroon M, Ahamad T. Synergistic charge-transfer dynamics of rigid fused and unfused backbone with donors lead to promising photovoltaic properties of diazaborinine-based chromophores [Internet]. Materials Science in Semiconductor Processing. 2024 ; 182 1-16 art. 108695.[citado 2024 set. 27 ] Available from: https://dx.doi.org/10.1016/j.mssp.2024.108695
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
Fonte: Journal of Molecular Liquids. Unidade: IQ
Assuntos: FULERENO, COMPOSTOS ORGÂNICOS, COMPOSTOS HETEROCÍCLICOS
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SHAFIQ, Iqra et al. Exploration the effect of selenophene moiety and benzothiophene based acceptors on optical nonlinearity of D–π–A based heterocyclic organic compounds in chloroform solvent: a DFT approach. Journal of Molecular Liquids, v. 393, p. 1-17 art. 123569, 2024Tradução . . Disponível em: https://dx.doi.org/10.1016/j.molliq.2023.123569. Acesso em: 27 set. 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 set. 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 2024 set. 27 ] Available from: https://dx.doi.org/10.1016/j.molliq.2023.123569
Artigo de periodico
Tuning the photovoltaic potential of thiazole based materials via incorporation of selenophene and electron acceptors rings at peripheral positions: a DFT approach (2024)
Khalid, Muhammad ; Jamal, Sadia; Braga, Ataualpa Albert Carmo ; Haroon, Muhammad ; Alotaibi, Rajeh; Chen, Ke
Fonte: Journal of Saudi Chemical Society. Unidade: IQ
Assuntos: ORBITAL MOLECULAR, CONVERSÃO DE ENERGIA ELÉTRICA, CÉLULAS SOLARES
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KHALID, Muhammad et al. Tuning the photovoltaic potential of thiazole based materials via incorporation of selenophene and electron acceptors rings at peripheral positions: a DFT approach. Journal of Saudi Chemical Society, v. 28, p. 1-14 art. 101903, 2024Tradução . . Disponível em: https://dx.doi.org/10.1016/j.jscs.2024.101903. Acesso em: 27 set. 2024.
APA
Khalid, M., Jamal, S., Braga, A. A. C., Haroon, M., Alotaibi, R., & Chen, K. (2024). Tuning the photovoltaic potential of thiazole based materials via incorporation of selenophene and electron acceptors rings at peripheral positions: a DFT approach. Journal of Saudi Chemical Society, 28, 1-14 art. 101903. doi:10.1016/j.jscs.2024.101903
NLM
Khalid M, Jamal S, Braga AAC, Haroon M, Alotaibi R, Chen K. Tuning the photovoltaic potential of thiazole based materials via incorporation of selenophene and electron acceptors rings at peripheral positions: a DFT approach [Internet]. Journal of Saudi Chemical Society. 2024 ; 28 1-14 art. 101903.[citado 2024 set. 27 ] Available from: https://dx.doi.org/10.1016/j.jscs.2024.101903
Vancouver
Khalid M, Jamal S, Braga AAC, Haroon M, Alotaibi R, Chen K. Tuning the photovoltaic potential of thiazole based materials via incorporation of selenophene and electron acceptors rings at peripheral positions: a DFT approach [Internet]. Journal of Saudi Chemical Society. 2024 ; 28 1-14 art. 101903.[citado 2024 set. 27 ] Available from: https://dx.doi.org/10.1016/j.jscs.2024.101903
Artigo de periodico
Exploaration of the influence of end-capped structural modification on photovoltaic properties of selenopheno-thiophene core based non-fullerene chromophores: a DFT study (2024)
Sagir, Muhammad; Saqib, Muhammad ; Tahir, Muhammad Bilal; Hussain, Shabbir; Javed, Laiba; Shoukat, Uzma; khalid, Muhammad; Braga, Ataualpa Albert Carmo ; Ullah, Sami; Assiri, Mohammed Ali
Fonte: Synthetic Metals. Unidade: IQ
Assuntos: CRISE ENERGÉTICA, POLUIÇÃO AMBIENTAL
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ABNT
SAGIR, Muhammad et al. Exploaration of the influence of end-capped structural modification on photovoltaic properties of selenopheno-thiophene core based non-fullerene chromophores: a DFT study. Synthetic Metals, v. 306, p. 1-13 art. 117620, 2024Tradução . . Disponível em: https://dx.doi.org/10.1016/j.synthmet.2024.117620. Acesso em: 27 set. 2024.
APA
Sagir, M., Saqib, M., Tahir, M. B., Hussain, S., Javed, L., Shoukat, U., et al. (2024). Exploaration of the influence of end-capped structural modification on photovoltaic properties of selenopheno-thiophene core based non-fullerene chromophores: a DFT study. Synthetic Metals, 306, 1-13 art. 117620. doi:10.1016/j.synthmet.2024.117620
NLM
Sagir M, Saqib M, Tahir MB, Hussain S, Javed L, Shoukat U, khalid M, Braga AAC, Ullah S, Assiri MA. Exploaration of the influence of end-capped structural modification on photovoltaic properties of selenopheno-thiophene core based non-fullerene chromophores: a DFT study [Internet]. Synthetic Metals. 2024 ; 306 1-13 art. 117620.[citado 2024 set. 27 ] Available from: https://dx.doi.org/10.1016/j.synthmet.2024.117620
Vancouver
Sagir M, Saqib M, Tahir MB, Hussain S, Javed L, Shoukat U, khalid M, Braga AAC, Ullah S, Assiri MA. Exploaration of the influence of end-capped structural modification on photovoltaic properties of selenopheno-thiophene core based non-fullerene chromophores: a DFT study [Internet]. Synthetic Metals. 2024 ; 306 1-13 art. 117620.[citado 2024 set. 27 ] Available from: https://dx.doi.org/10.1016/j.synthmet.2024.117620
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
Fonte: RSC Advances. Unidade: IQ
Assuntos: 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: 27 set. 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 set. 27 ] 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 set. 27 ] Available from: https://dx.doi.org/10.1039/d3ra06673h
Artigo de periodico
Theoretical expedition for enhancing photovoltaic performance: DFT investigation of benzo[c][1,2,5] thiadiazole-based scaffolds for organic solar cells (2024)
Khalid, Muhammad ; Sagir, Muhammad; Zahid, Muhammad; Morais, Sara Figueirêdo de Alcântara ; Saqib, Muhammad ; Ullah, Sami; Munawar, Khurram Shahzad ; Braga, Ataualpa Albert Carmo ; Assiri, Mohammed Ali
Fonte: Industrial and Engineering Chemistry Research. Unidade: IQ
Assuntos: ENERGIA ELÉTRICA, MOLÉCULA, ENERGIA SOLAR
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ABNT
KHALID, Muhammad et al. Theoretical expedition for enhancing photovoltaic performance: DFT investigation of benzo[c][1,2,5] thiadiazole-based scaffolds for organic solar cells. Industrial and Engineering Chemistry Research, v. 63, n. 6, p. 2726–2739, 2024Tradução . . Disponível em: https://dx.doi.org/10.1021/acs.iecr.3c04133. Acesso em: 27 set. 2024.
APA
Khalid, M., Sagir, M., Zahid, M., Morais, S. F. de A., Saqib, M., Ullah, S., et al. (2024). Theoretical expedition for enhancing photovoltaic performance: DFT investigation of benzo[c][1,2,5] thiadiazole-based scaffolds for organic solar cells. Industrial and Engineering Chemistry Research, 63( 6), 2726–2739. doi:10.1021/acs.iecr.3c04133
NLM
Khalid M, Sagir M, Zahid M, Morais SF de A, Saqib M, Ullah S, Munawar KS, Braga AAC, Assiri MA. Theoretical expedition for enhancing photovoltaic performance: DFT investigation of benzo[c][1,2,5] thiadiazole-based scaffolds for organic solar cells [Internet]. Industrial and Engineering Chemistry Research. 2024 ; 63( 6): 2726–2739.[citado 2024 set. 27 ] Available from: https://dx.doi.org/10.1021/acs.iecr.3c04133
Vancouver
Khalid M, Sagir M, Zahid M, Morais SF de A, Saqib M, Ullah S, Munawar KS, Braga AAC, Assiri MA. Theoretical expedition for enhancing photovoltaic performance: DFT investigation of benzo[c][1,2,5] thiadiazole-based scaffolds for organic solar cells [Internet]. Industrial and Engineering Chemistry Research. 2024 ; 63( 6): 2726–2739.[citado 2024 set. 27 ] Available from: https://dx.doi.org/10.1021/acs.iecr.3c04133
Artigo de periodico
Unravelling the photovoltaic response of butterfly-shaped fulvene based chromophores with the influence of double acceptor moieties: a DFT approach (2024)
Khalid, Muhammad; Kousar, Shehla; Haq, Saadia; Braga, Ataualpa Albert Carmo; Akram, Muhammad Yasir; Alotaibi, Rajeh
Fonte: Journal of Industrial and Engineering Chemistry. Unidade: IQ
Assuntos: MOLÉCULA, ÓPTICA ELETRÔNICA
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ABNT
KHALID, Muhammad et al. Unravelling the photovoltaic response of butterfly-shaped fulvene based chromophores with the influence of double acceptor moieties: a DFT approach. Journal of Industrial and Engineering Chemistry, 2024Tradução . . Disponível em: https://dx.doi.org/10.1016/j.jiec.2024.07.059. Acesso em: 27 set. 2024.
APA
Khalid, M., Kousar, S., Haq, S., Braga, A. A. C., Akram, M. Y., & Alotaibi, R. (2024). Unravelling the photovoltaic response of butterfly-shaped fulvene based chromophores with the influence of double acceptor moieties: a DFT approach. Journal of Industrial and Engineering Chemistry. doi:10.1016/j.jiec.2024.07.059
NLM
Khalid M, Kousar S, Haq S, Braga AAC, Akram MY, Alotaibi R. Unravelling the photovoltaic response of butterfly-shaped fulvene based chromophores with the influence of double acceptor moieties: a DFT approach [Internet]. Journal of Industrial and Engineering Chemistry. 2024 ;[citado 2024 set. 27 ] Available from: https://dx.doi.org/10.1016/j.jiec.2024.07.059
Vancouver
Khalid M, Kousar S, Haq S, Braga AAC, Akram MY, Alotaibi R. Unravelling the photovoltaic response of butterfly-shaped fulvene based chromophores with the influence of double acceptor moieties: a DFT approach [Internet]. Journal of Industrial and Engineering Chemistry. 2024 ;[citado 2024 set. 27 ] Available from: https://dx.doi.org/10.1016/j.jiec.2024.07.059
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
Fonte: Journal of Molecular Liquids. Unidade: IQ
Assuntos: 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 set. 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 set. 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 2024 set. 27 ] Available from: https://dx.doi.org/10.1016/j.molliq.2024.124608
Trabalho de evento-resumo
Dissecting methanol adsorption on H-ZSM-5: a multiscale exploration using QM/QM (2024)
Mizumoto, Thiago Mineo; Duarte, Leonardo José; Braga, Ataualpa Albert Carmo
Fonte: Anais. Nome do evento: Reunião Anual da Sociedade Brasileira de Química - RASBQ. Unidade: IQ
Assunto: METANOL
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MIZUMOTO, Thiago Mineo e DUARTE, Leonardo José e BRAGA, Ataualpa Albert Carmo. Dissecting methanol adsorption on H-ZSM-5: a multiscale exploration using QM/QM. 2024, Anais.. São Paulo: Sociedade Brasileira de Química - SBQ, 2024. Disponível em: https://www.eventweb.com.br/rasbq2024/home-event/schedule.php?q=&area=todas&sessao=todas&tipo=1#trabalhos. Acesso em: 27 set. 2024.
APA
Mizumoto, T. M., Duarte, L. J., & Braga, A. A. C. (2024). Dissecting methanol adsorption on H-ZSM-5: a multiscale exploration using QM/QM. In Anais. São Paulo: Sociedade Brasileira de Química - SBQ. Recuperado de https://www.eventweb.com.br/rasbq2024/home-event/schedule.php?q=&area=todas&sessao=todas&tipo=1#trabalhos
NLM
Mizumoto TM, Duarte LJ, Braga AAC. Dissecting methanol adsorption on H-ZSM-5: a multiscale exploration using QM/QM [Internet]. Anais. 2024 ;[citado 2024 set. 27 ] Available from: https://www.eventweb.com.br/rasbq2024/home-event/schedule.php?q=&area=todas&sessao=todas&tipo=1#trabalhos
Vancouver
Mizumoto TM, Duarte LJ, Braga AAC. Dissecting methanol adsorption on H-ZSM-5: a multiscale exploration using QM/QM [Internet]. Anais. 2024 ;[citado 2024 set. 27 ] Available from: https://www.eventweb.com.br/rasbq2024/home-event/schedule.php?q=&area=todas&sessao=todas&tipo=1#trabalhos
Artigo de periodico
Exploration of the effect of multiple acceptor and π–spacer moieties coupled to indolonaphthyridine core for promising organic photovoltaic properties: a first principles framework (2024)
Khan, Mashal; khalid, Muhammad; Murtaza, Shahzad; Braga, Ataualpa Albert Carmo ; Alrashidi, Khalid Abdullah; Ahmed, Sarfraz
Fonte: Scientific Reports. Unidade: IQ
Assuntos: CÉLULAS SOLARES, FULERENO
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ABNT
KHAN, Mashal et al. Exploration of the effect of multiple acceptor and π–spacer moieties coupled to indolonaphthyridine core for promising organic photovoltaic properties: a first principles framework. Scientific Reports, v. 14, p. 1-21 art. 19820, 2024Tradução . . Disponível em: https://dx.doi.org/10.1038/s41598-024-70457-9. Acesso em: 27 set. 2024.
APA
Khan, M., khalid, M., Murtaza, S., Braga, A. A. C., Alrashidi, K. A., & Ahmed, S. (2024). Exploration of the effect of multiple acceptor and π–spacer moieties coupled to indolonaphthyridine core for promising organic photovoltaic properties: a first principles framework. Scientific Reports, 14, 1-21 art. 19820. doi:10.1038/s41598-024-70457-9
NLM
Khan M, khalid M, Murtaza S, Braga AAC, Alrashidi KA, Ahmed S. Exploration of the effect of multiple acceptor and π–spacer moieties coupled to indolonaphthyridine core for promising organic photovoltaic properties: a first principles framework [Internet]. Scientific Reports. 2024 ; 14 1-21 art. 19820.[citado 2024 set. 27 ] Available from: https://dx.doi.org/10.1038/s41598-024-70457-9
Vancouver
Khan M, khalid M, Murtaza S, Braga AAC, Alrashidi KA, Ahmed S. Exploration of the effect of multiple acceptor and π–spacer moieties coupled to indolonaphthyridine core for promising organic photovoltaic properties: a first principles framework [Internet]. Scientific Reports. 2024 ; 14 1-21 art. 19820.[citado 2024 set. 27 ] Available from: https://dx.doi.org/10.1038/s41598-024-70457-9
Artigo de periodico
Unveiling the influence of end-capped acceptors modification on photovoltaic properties of non-fullerene fused ring compounds: a DFT/TD-DFT study (2024)
Khalid, Muhammad ; Fatima, Noor; Arshad, Muhammad; Adeel, Muhammad; Braga, Ataualpa Albert Carmo ; Ahamad, Tansir
Fonte: RSC Advances. Unidade: IQ
Assuntos: CÉLULAS SOLARES, ORBITAL MOLECULAR
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ABNT
KHALID, Muhammad et al. Unveiling the influence of end-capped acceptors modification on photovoltaic properties of non-fullerene fused ring compounds: a DFT/TD-DFT study. RSC Advances, v. 14, p. 20441–20453, 2024Tradução . . Disponível em: https://dx.doi.org/10.1039/d4ra03170a. Acesso em: 27 set. 2024.
APA
Khalid, M., Fatima, N., Arshad, M., Adeel, M., Braga, A. A. C., & Ahamad, T. (2024). Unveiling the influence of end-capped acceptors modification on photovoltaic properties of non-fullerene fused ring compounds: a DFT/TD-DFT study. RSC Advances, 14, 20441–20453. doi:10.1039/d4ra03170a
NLM
Khalid M, Fatima N, Arshad M, Adeel M, Braga AAC, Ahamad T. Unveiling the influence of end-capped acceptors modification on photovoltaic properties of non-fullerene fused ring compounds: a DFT/TD-DFT study [Internet]. RSC Advances. 2024 ; 14 20441–20453.[citado 2024 set. 27 ] Available from: https://dx.doi.org/10.1039/d4ra03170a
Vancouver
Khalid M, Fatima N, Arshad M, Adeel M, Braga AAC, Ahamad T. Unveiling the influence of end-capped acceptors modification on photovoltaic properties of non-fullerene fused ring compounds: a DFT/TD-DFT study [Internet]. RSC Advances. 2024 ; 14 20441–20453.[citado 2024 set. 27 ] Available from: https://dx.doi.org/10.1039/d4ra03170a
Trabalho de evento-resumo
Computational Study of Enantioselective Iminium Ion Catalysis in the Synthesis of Pyrroloindolines (2024)
Cardoso, Felipe Schoma; Paz, Bruno Matos ; Braga, Ataualpa Albert Carmo
Fonte: Anais. Nome do evento: Reunião Anual da Sociedade Brasileira de Química - RASBQ. Unidade: IQ
Assuntos: CATÁLISE, ÍONS
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ABNT
CARDOSO, Felipe Schoma e PAZ, Bruno Matos e BRAGA, Ataualpa Albert Carmo. Computational Study of Enantioselective Iminium Ion Catalysis in the Synthesis of Pyrroloindolines. 2024, Anais.. São Paulo: Sociedade Brasileira de Química - SBQ, 2024. Disponível em: https://www.eventweb.com.br/rasbq2024/home-event/schedule.php?q=&area=todas&sessao=todas&tipo=1#trabalhos. Acesso em: 27 set. 2024.
APA
Cardoso, F. S., Paz, B. M., & Braga, A. A. C. (2024). Computational Study of Enantioselective Iminium Ion Catalysis in the Synthesis of Pyrroloindolines. In Anais. São Paulo: Sociedade Brasileira de Química - SBQ. Recuperado de https://www.eventweb.com.br/rasbq2024/home-event/schedule.php?q=&area=todas&sessao=todas&tipo=1#trabalhos
NLM
Cardoso FS, Paz BM, Braga AAC. Computational Study of Enantioselective Iminium Ion Catalysis in the Synthesis of Pyrroloindolines [Internet]. Anais. 2024 ;[citado 2024 set. 27 ] Available from: https://www.eventweb.com.br/rasbq2024/home-event/schedule.php?q=&area=todas&sessao=todas&tipo=1#trabalhos
Vancouver
Cardoso FS, Paz BM, Braga AAC. Computational Study of Enantioselective Iminium Ion Catalysis in the Synthesis of Pyrroloindolines [Internet]. Anais. 2024 ;[citado 2024 set. 27 ] Available from: https://www.eventweb.com.br/rasbq2024/home-event/schedule.php?q=&area=todas&sessao=todas&tipo=1#trabalhos
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
Fonte: 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: 27 set. 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 set. 27 ] 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 set. 27 ] 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
Fonte: Arabian Journal of Chemistry. Unidade: IQ
Assuntos: ENGENHARIA, MATERIAIS ÓPTICOS
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
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: 27 set. 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 set. 27 ] 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 set. 27 ] Available from: https://dx.doi.org/10.1016/j.arabjc.2024.105753
Artigo de periodico
Facile synthesis, spectroscopic and nonlinear optical insights of Hydrazinyl-based functional materials: experimental and DFT approach (2024)
Mehmood, Hasnain; Akhtar, Tashfeen ; Haroon, Muhammad; khalid, Muhammad; Woodward, Simon; Shafiq, Iqra ; Braga, Ataualpa Albert Carmo ; Alhokbany, Norah
Fonte: Polycyclic Aromatic Compounds. Unidade: IQ
Assuntos: QUÍMICA QUÂNTICA, ESPECTROSCOPIA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
MEHMOOD, Hasnain et al. Facile synthesis, spectroscopic and nonlinear optical insights of Hydrazinyl-based functional materials: experimental and DFT approach. Polycyclic Aromatic Compounds, v. 44, n. 5, p. 3456–3475, 2024Tradução . . Disponível em: https://dx.doi.org/10.1080/10406638.2023.2235871. Acesso em: 27 set. 2024.
APA
Mehmood, H., Akhtar, T., Haroon, M., khalid, M., Woodward, S., Shafiq, I., et al. (2024). Facile synthesis, spectroscopic and nonlinear optical insights of Hydrazinyl-based functional materials: experimental and DFT approach. Polycyclic Aromatic Compounds, 44( 5), 3456–3475. doi:10.1080/10406638.2023.2235871
NLM
Mehmood H, Akhtar T, Haroon M, khalid M, Woodward S, Shafiq I, Braga AAC, Alhokbany N. Facile synthesis, spectroscopic and nonlinear optical insights of Hydrazinyl-based functional materials: experimental and DFT approach [Internet]. Polycyclic Aromatic Compounds. 2024 ; 44( 5): 3456–3475.[citado 2024 set. 27 ] Available from: https://dx.doi.org/10.1080/10406638.2023.2235871
Vancouver
Mehmood H, Akhtar T, Haroon M, khalid M, Woodward S, Shafiq I, Braga AAC, Alhokbany N. Facile synthesis, spectroscopic and nonlinear optical insights of Hydrazinyl-based functional materials: experimental and DFT approach [Internet]. Polycyclic Aromatic Compounds. 2024 ; 44( 5): 3456–3475.[citado 2024 set. 27 ] Available from: https://dx.doi.org/10.1080/10406638.2023.2235871
Artigo de periodico
Exploration of photovoltaic properties towards efficient organic solar cells for Thieno[3,2-b]thiophene fused naphthalene core based acceptor derivatives (2024)
Khalid, Muhammad; Mustafa, Ayesha; Braga, Ataualpa Albert Carmo; Asghar, Muhammad Adnan; Raza, Nadeem; Khairy, Mohamed
Fonte: Journal of Photochemistry & Photobiology A. Unidade: IQ
Assuntos: CÉLULAS SOLARES, ÓPTICA ELETRÔNICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
KHALID, Muhammad et al. Exploration of photovoltaic properties towards efficient organic solar cells for Thieno[3,2-b]thiophene fused naphthalene core based acceptor derivatives. Journal of Photochemistry & Photobiology A, v. 447, p. 1-14 art. 115279, 2024Tradução . . Disponível em: https://dx.doi.org/10.1016/j.jphotochem.2023.115279. Acesso em: 27 set. 2024.
APA
Khalid, M., Mustafa, A., Braga, A. A. C., Asghar, M. A., Raza, N., & Khairy, M. (2024). Exploration of photovoltaic properties towards efficient organic solar cells for Thieno[3,2-b]thiophene fused naphthalene core based acceptor derivatives. Journal of Photochemistry & Photobiology A, 447, 1-14 art. 115279. doi:10.1016/j.jphotochem.2023.115279
NLM
Khalid M, Mustafa A, Braga AAC, Asghar MA, Raza N, Khairy M. Exploration of photovoltaic properties towards efficient organic solar cells for Thieno[3,2-b]thiophene fused naphthalene core based acceptor derivatives [Internet]. Journal of Photochemistry & Photobiology A. 2024 ; 447 1-14 art. 115279.[citado 2024 set. 27 ] Available from: https://dx.doi.org/10.1016/j.jphotochem.2023.115279
Vancouver
Khalid M, Mustafa A, Braga AAC, Asghar MA, Raza N, Khairy M. Exploration of photovoltaic properties towards efficient organic solar cells for Thieno[3,2-b]thiophene fused naphthalene core based acceptor derivatives [Internet]. Journal of Photochemistry & Photobiology A. 2024 ; 447 1-14 art. 115279.[citado 2024 set. 27 ] Available from: https://dx.doi.org/10.1016/j.jphotochem.2023.115279
Artigo de periodico
Use of benzothiophene ring to improve the photovoltaic efficacy of cyanopyridinone-based organic chromophores: a DFT study (2024)
Shafiq, Iqra; Khalid, Muhammad ; Maria, Gul; Raza, Nadeem; Braga, Ataualpa Albert Carmo ; Bullo, Saifullah ; Khairy, Mohamed
Fonte: RSC Advances. Unidade: IQ
Assuntos: CRISE ENERGÉTICA, ENERGIA EÓLICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
SHAFIQ, Iqra et al. Use of benzothiophene ring to improve the photovoltaic efficacy of cyanopyridinone-based organic chromophores: a DFT study. RSC Advances, v. 14, p. 12841-12852, 2024Tradução . . Disponível em: https://dx.doi.org/10.1039/d3ra06817j. Acesso em: 27 set. 2024.
APA
Shafiq, I., Khalid, M., Maria, G., Raza, N., Braga, A. A. C., Bullo, S., & Khairy, M. (2024). Use of benzothiophene ring to improve the photovoltaic efficacy of cyanopyridinone-based organic chromophores: a DFT study. RSC Advances, 14, 12841-12852. doi:10.1039/d3ra06817j
NLM
Shafiq I, Khalid M, Maria G, Raza N, Braga AAC, Bullo S, Khairy M. Use of benzothiophene ring to improve the photovoltaic efficacy of cyanopyridinone-based organic chromophores: a DFT study [Internet]. RSC Advances. 2024 ; 14 12841-12852.[citado 2024 set. 27 ] Available from: https://dx.doi.org/10.1039/d3ra06817j
Vancouver
Shafiq I, Khalid M, Maria G, Raza N, Braga AAC, Bullo S, Khairy M. Use of benzothiophene ring to improve the photovoltaic efficacy of cyanopyridinone-based organic chromophores: a DFT study [Internet]. RSC Advances. 2024 ; 14 12841-12852.[citado 2024 set. 27 ] Available from: https://dx.doi.org/10.1039/d3ra06817j
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
Fonte: Synthetic Metals. Unidade: IQ
Assuntos: CÉLULAS SOLARES, ELÉTRONS
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
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: 27 set. 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 set. 27 ] 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 set. 27 ] Available from: https://dx.doi.org/10.1016/j.synthmet.2024.117548
Artigo de periodico
SC-XRD structural characterization, insights of key electronic, and nonlinear optical properties of dimethoxybenzenesulfonate crystals: a combine experimental and DFT approach (2024)
Arshad, Muhammad Nadeem ; khalid, Muhammad; Sheikh, Tahir Ali ; Asad, Mohammad ; Alzahrani, Khalid A; Marwani, Hadi M; Braga, Ataualpa Albert Carmo
Fonte: Journal of Molecular Structure. Unidade: IQ
Assuntos: ÓPTICA NÃO LINEAR, CLORETO, BENZENO
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
ARSHAD, Muhammad Nadeem et al. SC-XRD structural characterization, insights of key electronic, and nonlinear optical properties of dimethoxybenzenesulfonate crystals: a combine experimental and DFT approach. Journal of Molecular Structure, v. 1314, p. 1-17 art. 138696, 2024Tradução . . Disponível em: https://dx.doi.org/10.1016/j.molstruc.2024.138696. Acesso em: 27 set. 2024.
APA
Arshad, M. N., khalid, M., Sheikh, T. A., Asad, M., Alzahrani, K. A., Marwani, H. M., & Braga, A. A. C. (2024). SC-XRD structural characterization, insights of key electronic, and nonlinear optical properties of dimethoxybenzenesulfonate crystals: a combine experimental and DFT approach. Journal of Molecular Structure, 1314, 1-17 art. 138696. doi:10.1016/j.molstruc.2024.138696
NLM
Arshad MN, khalid M, Sheikh TA, Asad M, Alzahrani KA, Marwani HM, Braga AAC. SC-XRD structural characterization, insights of key electronic, and nonlinear optical properties of dimethoxybenzenesulfonate crystals: a combine experimental and DFT approach [Internet]. Journal of Molecular Structure. 2024 ; 1314 1-17 art. 138696.[citado 2024 set. 27 ] Available from: https://dx.doi.org/10.1016/j.molstruc.2024.138696
Vancouver
Arshad MN, khalid M, Sheikh TA, Asad M, Alzahrani KA, Marwani HM, Braga AAC. SC-XRD structural characterization, insights of key electronic, and nonlinear optical properties of dimethoxybenzenesulfonate crystals: a combine experimental and DFT approach [Internet]. Journal of Molecular Structure. 2024 ; 1314 1-17 art. 138696.[citado 2024 set. 27 ] Available from: https://dx.doi.org/10.1016/j.molstruc.2024.138696

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