ReP USP - Resultado da busca

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
Source: Catalysis Today. Unidade: IQ
Subjects: RÓDIO, TERPENOS
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
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: 17 out. 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 out. 17 ] 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 out. 17 ] Available from: https://dx.doi.org/10.1016/j.cattod.2024.115018
Artigo de periodico
Tuning the photovoltaic potential of thiazole based materials via incorporation of selenophene and electron acceptors rings at peripheral positions: a DFT approach (2024)
Khalid, Muhammad ; Jamal, Sadia; Braga, Ataualpa Albert Carmo ; Haroon, Muhammad ; Alotaibi, Rajeh; Chen, Ke
Source: Journal of Saudi Chemical Society. Unidade: IQ
Subjects: ORBITAL MOLECULAR, CONVERSÃO DE ENERGIA ELÉTRICA, CÉLULAS SOLARES
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
KHALID, Muhammad et al. Tuning the photovoltaic potential of thiazole based materials via incorporation of selenophene and electron acceptors rings at peripheral positions: a DFT approach. Journal of Saudi Chemical Society, v. 28, p. 1-14 art. 101903, 2024Tradução . . Disponível em: https://dx.doi.org/10.1016/j.jscs.2024.101903. Acesso em: 17 out. 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 out. 17 ] 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 out. 17 ] Available from: https://dx.doi.org/10.1016/j.jscs.2024.101903
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
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
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: 17 out. 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 out. 17 ] 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 out. 17 ] 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
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
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: 17 out. 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 out. 17 ] 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 out. 17 ] 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
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
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: 17 out. 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 out. 17 ] 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 out. 17 ] 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
Source: Anais. Conference titles: Reunião Anual da Sociedade Brasileira de Química - RASBQ. Unidade: IQ
Assunto: METANOL
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
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: 17 out. 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 out. 17 ] 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 out. 17 ] Available from: https://www.eventweb.com.br/rasbq2024/home-event/schedule.php?q=&area=todas&sessao=todas&tipo=1#trabalhos
Artigo de periodico
Intriguing combinations of p-cymene, chloride ion, phosphines, and amines in ruthenium metal centers: which ligand decoordinates for ROMP? (2024)
Caetano, Renan Bernard Gléria ; Santiago, Pedro Henrique de Oliveira ; Ellena, Javier ; Oliveira, Daniel Arley Santos ; Braga, Ataualpa Albert Carmo ; Lima Neto, Benedito dos Santos
Source: Molecular Catalysis. Unidades: IFSC, IQ, IQSC
Subjects: LIGANTES, RUTÊNIO
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
CAETANO, Renan Bernard Gléria et al. Intriguing combinations of p-cymene, chloride ion, phosphines, and amines in ruthenium metal centers: which ligand decoordinates for ROMP?. Molecular Catalysis, v. 569, p. 114551-1114551-12, 2024Tradução . . Disponível em: https://doi.org/10.1016/j.mcat.2024.114551. Acesso em: 17 out. 2024.
APA
Caetano, R. B. G., Santiago, P. H. de O., Ellena, J., Oliveira, D. A. S., Braga, A. A. C., & Lima Neto, B. dos S. (2024). Intriguing combinations of p-cymene, chloride ion, phosphines, and amines in ruthenium metal centers: which ligand decoordinates for ROMP? Molecular Catalysis, 569, 114551-1114551-12. doi:10.1016/j.mcat.2024.114551
NLM
Caetano RBG, Santiago PH de O, Ellena J, Oliveira DAS, Braga AAC, Lima Neto B dos S. Intriguing combinations of p-cymene, chloride ion, phosphines, and amines in ruthenium metal centers: which ligand decoordinates for ROMP? [Internet]. Molecular Catalysis. 2024 ; 569 114551-1114551-12.[citado 2024 out. 17 ] Available from: https://doi.org/10.1016/j.mcat.2024.114551
Vancouver
Caetano RBG, Santiago PH de O, Ellena J, Oliveira DAS, Braga AAC, Lima Neto B dos S. Intriguing combinations of p-cymene, chloride ion, phosphines, and amines in ruthenium metal centers: which ligand decoordinates for ROMP? [Internet]. Molecular Catalysis. 2024 ; 569 114551-1114551-12.[citado 2024 out. 17 ] Available from: https://doi.org/10.1016/j.mcat.2024.114551
Artigo de periodico
Unveiling the influence of end-capped acceptors modification on photovoltaic properties of non-fullerene fused ring compounds: a DFT/TD-DFT study (2024)
Khalid, Muhammad ; Fatima, Noor; Arshad, Muhammad; Adeel, Muhammad; Braga, Ataualpa Albert Carmo ; Ahamad, Tansir
Source: RSC Advances. Unidade: IQ
Subjects: CÉLULAS SOLARES, ORBITAL MOLECULAR
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
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: 17 out. 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 out. 17 ] 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 out. 17 ] 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
Source: Anais. Conference titles: Reunião Anual da Sociedade Brasileira de Química - RASBQ. Unidade: IQ
Subjects: CATÁLISE, ÍONS
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
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: 17 out. 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 out. 17 ] 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 out. 17 ] Available from: https://www.eventweb.com.br/rasbq2024/home-event/schedule.php?q=&area=todas&sessao=todas&tipo=1#trabalhos
Artigo de periodico
Facile synthesis, spectroscopic and nonlinear optical insights of Hydrazinyl-based functional materials: experimental and DFT approach (2024)
Mehmood, Hasnain; Akhtar, Tashfeen ; Haroon, Muhammad; khalid, Muhammad; Woodward, Simon; Shafiq, Iqra ; Braga, Ataualpa Albert Carmo ; Alhokbany, Norah
Source: Polycyclic Aromatic Compounds. Unidade: IQ
Subjects: QUÍMICA QUÂNTICA, ESPECTROSCOPIA
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: 17 out. 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 out. 17 ] 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 out. 17 ] Available from: https://dx.doi.org/10.1080/10406638.2023.2235871
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
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: 17 out. 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 out. 17 ] 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 out. 17 ] 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
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: 17 out. 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 out. 17 ] 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 out. 17 ] 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
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
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: 17 out. 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 out. 17 ] 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 out. 17 ] Available from: https://dx.doi.org/10.1007/s00894-024-05930-3
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
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
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: 17 out. 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 out. 17 ] 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 out. 17 ] Available from: https://doi.org/10.1016/j.jscs.2023.101650
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
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
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: 17 out. 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 out. 17 ] 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 out. 17 ] 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
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
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: 17 out. 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 out. 17 ] 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 out. 17 ] Available from: https://doi.org/10.1016/j.jscs.2023.101683
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: 17 out. 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 out. 17 ] 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 out. 17 ] 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: 17 out. 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 out. 17 ] 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 out. 17 ] 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: 17 out. 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 out. 17 ] 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 out. 17 ] 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: 17 out. 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 out. 17 ] 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 out. 17 ] Available from: https://doi.org/10.1038/s41598-023-41679-0

USP Schools

ReP

Filtros

Authors

USP affiliated authors

Subjects

Source title

Countries/Territories

Funding Agencies

Non normalized affiliation

Countries of institutions of collaboration