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Artigo de periodico
Quercetin analogues of kojic acid as strong antioxidant derivatives: Theoretical insights (2025)
Lobato, Cleison C.; Sousa, Daniel da Silva de ; Cardoso, Anne G.B.; Vale, Joyce K.L.; Aguiar, Cristiane P.O. de; Silva, Alberico Borges Ferreira da ; Borges, Rosivaldo S.
Fonte: Journal of Molecular Structure. Unidade: IQSC
Assuntos: ANTIOXIDANTES, FLAVONOIDES
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ABNT
LOBATO, Cleison C. et al. Quercetin analogues of kojic acid as strong antioxidant derivatives: Theoretical insights. Journal of Molecular Structure, v. 1322, p. 140480, 2025Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2024.140480. Acesso em: 15 jun. 2025.
APA
Lobato, C. C., Sousa, D. da S. de, Cardoso, A. G. B., Vale, J. K. L., Aguiar, C. P. O. de, Silva, A. B. F. da, & Borges, R. S. (2025). Quercetin analogues of kojic acid as strong antioxidant derivatives: Theoretical insights. Journal of Molecular Structure, 1322, 140480. doi:10.1016/j.molstruc.2024.140480
NLM
Lobato CC, Sousa D da S de, Cardoso AGB, Vale JKL, Aguiar CPO de, Silva ABF da, Borges RS. Quercetin analogues of kojic acid as strong antioxidant derivatives: Theoretical insights [Internet]. Journal of Molecular Structure. 2025 ;1322 140480.[citado 2025 jun. 15 ] Available from: https://doi.org/10.1016/j.molstruc.2024.140480
Vancouver
Lobato CC, Sousa D da S de, Cardoso AGB, Vale JKL, Aguiar CPO de, Silva ABF da, Borges RS. Quercetin analogues of kojic acid as strong antioxidant derivatives: Theoretical insights [Internet]. Journal of Molecular Structure. 2025 ;1322 140480.[citado 2025 jun. 15 ] Available from: https://doi.org/10.1016/j.molstruc.2024.140480
Artigo de periodico
Unveiling the electronic and molecular structure of a trinuclear ruthenium cluster containing one nitrosyl ligand (2024)
Batista, Ana Paula de Lima ; Pavan, Jamile Rocha; Ribeiro, Marcos Antônio; Nikolaou, Sofia
Fonte: Journal of Molecular Structure. Unidade: FFCLRP
Assuntos: RUTÊNIO, LIGANTES, QUÍMICA INORGÂNICA, ÓXIDO NÍTRICO
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ABNT
BATISTA, Ana Paula de Lima et al. Unveiling the electronic and molecular structure of a trinuclear ruthenium cluster containing one nitrosyl ligand. Journal of Molecular Structure, v. 1308, 2024Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2024.138119. Acesso em: 15 jun. 2025.
APA
Batista, A. P. de L., Pavan, J. R., Ribeiro, M. A., & Nikolaou, S. (2024). Unveiling the electronic and molecular structure of a trinuclear ruthenium cluster containing one nitrosyl ligand. Journal of Molecular Structure, 1308. doi:10.1016/j.molstruc.2024.138119
NLM
Batista AP de L, Pavan JR, Ribeiro MA, Nikolaou S. Unveiling the electronic and molecular structure of a trinuclear ruthenium cluster containing one nitrosyl ligand [Internet]. Journal of Molecular Structure. 2024 ; 1308[citado 2025 jun. 15 ] Available from: https://doi.org/10.1016/j.molstruc.2024.138119
Vancouver
Batista AP de L, Pavan JR, Ribeiro MA, Nikolaou S. Unveiling the electronic and molecular structure of a trinuclear ruthenium cluster containing one nitrosyl ligand [Internet]. Journal of Molecular Structure. 2024 ; 1308[citado 2025 jun. 15 ] Available from: https://doi.org/10.1016/j.molstruc.2024.138119
Artigo de periodico
Photophysical properties of 3-arylthioimidazo[1,2-a]pyridine derivatives: the role of peripheral electron-donating and electron-withdrawing groups in the advance of organic materials engineering (2024)
Cocca, Leandro Henrique Zucolotto ; Valverde, João Victor Pereira; Bescont, Julie le; Breton-Patient, Chloé; Piguel, Sandrine ; Silva, Daniel Luiz da; Mendonça, Cleber Renato ; De Boni, Leonardo
Fonte: Journal of Molecular Structure. Unidade: IFSC
Assuntos: ÓPTICA, FLUORESCÊNCIA, PROPRIEDADES ÓPTICAS DA SOLUÇÃO
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COCCA, Leandro Henrique Zucolotto et al. Photophysical properties of 3-arylthioimidazo[1,2-a]pyridine derivatives: the role of peripheral electron-donating and electron-withdrawing groups in the advance of organic materials engineering. Journal of Molecular Structure, v. 1300, p. 137221-1-137221-9, 2024Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2023.137221. Acesso em: 15 jun. 2025.
APA
Cocca, L. H. Z., Valverde, J. V. P., Bescont, J. le, Breton-Patient, C., Piguel, S., Silva, D. L. da, et al. (2024). Photophysical properties of 3-arylthioimidazo[1,2-a]pyridine derivatives: the role of peripheral electron-donating and electron-withdrawing groups in the advance of organic materials engineering. Journal of Molecular Structure, 1300, 137221-1-137221-9. doi:10.1016/j.molstruc.2023.137221
NLM
Cocca LHZ, Valverde JVP, Bescont J le, Breton-Patient C, Piguel S, Silva DL da, Mendonça CR, De Boni L. Photophysical properties of 3-arylthioimidazo[1,2-a]pyridine derivatives: the role of peripheral electron-donating and electron-withdrawing groups in the advance of organic materials engineering [Internet]. Journal of Molecular Structure. 2024 ; 1300 137221-1-137221-9.[citado 2025 jun. 15 ] Available from: https://doi.org/10.1016/j.molstruc.2023.137221
Vancouver
Cocca LHZ, Valverde JVP, Bescont J le, Breton-Patient C, Piguel S, Silva DL da, Mendonça CR, De Boni L. Photophysical properties of 3-arylthioimidazo[1,2-a]pyridine derivatives: the role of peripheral electron-donating and electron-withdrawing groups in the advance of organic materials engineering [Internet]. Journal of Molecular Structure. 2024 ; 1300 137221-1-137221-9.[citado 2025 jun. 15 ] Available from: https://doi.org/10.1016/j.molstruc.2023.137221
Artigo de periodico
Imines and their metal complexes as active drugs against chagas disease: a review in recent years and analyses of in silico properties (2024)
França, Igor Vinicius de; Döring, Thiago Henrique ; Oliveira Neto, Francisco Martins de; Pedroso, Maria Júlia; Cruz Júnior, José Wilmo da
Fonte: Journal of Molecular Structure. Unidade: IFSC
Assuntos: DOENÇA DE CHAGAS, TRYPANOSOMA CRUZI, FÁRMACOS, PLANEJAMENTO DE FÁRMACOS
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FRANÇA, Igor Vinicius de et al. Imines and their metal complexes as active drugs against chagas disease: a review in recent years and analyses of in silico properties. Journal of Molecular Structure, v. 1314, p. 138725-1-138725-18, 2024Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2024.138725. Acesso em: 15 jun. 2025.
APA
França, I. V. de, Döring, T. H., Oliveira Neto, F. M. de, Pedroso, M. J., & Cruz Júnior, J. W. da. (2024). Imines and their metal complexes as active drugs against chagas disease: a review in recent years and analyses of in silico properties. Journal of Molecular Structure, 1314, 138725-1-138725-18. doi:10.1016/j.molstruc.2024.138725
NLM
França IV de, Döring TH, Oliveira Neto FM de, Pedroso MJ, Cruz Júnior JW da. Imines and their metal complexes as active drugs against chagas disease: a review in recent years and analyses of in silico properties [Internet]. Journal of Molecular Structure. 2024 ; 1314 138725-1-138725-18.[citado 2025 jun. 15 ] Available from: https://doi.org/10.1016/j.molstruc.2024.138725
Vancouver
França IV de, Döring TH, Oliveira Neto FM de, Pedroso MJ, Cruz Júnior JW da. Imines and their metal complexes as active drugs against chagas disease: a review in recent years and analyses of in silico properties [Internet]. Journal of Molecular Structure. 2024 ; 1314 138725-1-138725-18.[citado 2025 jun. 15 ] Available from: https://doi.org/10.1016/j.molstruc.2024.138725
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
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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: 15 jun. 2025.
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 2025 jun. 15 ] 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 2025 jun. 15 ] Available from: https://dx.doi.org/10.1016/j.molstruc.2024.138696
Artigo de periodico
Molecular structure determination of Nickel(II) isomers bearing bis(thiosemicarbazone) ligands: X-ray, DFT calculations and kinetic groundwork (2024)
Lima, Raíza F. X.; Oliveira, Danilo A.; Prado, Cássio R. A. do; Siqueira Jr, Josè R.; Deflon, Victor Marcelo ; Hagenbach, Adelhaid; Abram, Ulrich; Machado, Antonio E. da Hora; Bogado, André L.; Maia, Pedro I. S.
Fonte: Journal of Molecular Structure. Unidade: IQSC
Assuntos: ISÔMERO, NÍQUEL
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ABNT
LIMA, Raíza F. X. et al. Molecular structure determination of Nickel(II) isomers bearing bis(thiosemicarbazone) ligands: X-ray, DFT calculations and kinetic groundwork. Journal of Molecular Structure, v. 1295, p. 136738, 2024Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2023.136738. Acesso em: 15 jun. 2025.
APA
Lima, R. F. X., Oliveira, D. A., Prado, C. R. A. do, Siqueira Jr, J. R., Deflon, V. M., Hagenbach, A., et al. (2024). Molecular structure determination of Nickel(II) isomers bearing bis(thiosemicarbazone) ligands: X-ray, DFT calculations and kinetic groundwork. Journal of Molecular Structure, 1295, 136738. doi:10.1016/j.molstruc.2023.136738
NLM
Lima RFX, Oliveira DA, Prado CRA do, Siqueira Jr JR, Deflon VM, Hagenbach A, Abram U, Machado A E da H, Bogado AL, Maia PIS. Molecular structure determination of Nickel(II) isomers bearing bis(thiosemicarbazone) ligands: X-ray, DFT calculations and kinetic groundwork [Internet]. Journal of Molecular Structure. 2024 ;1295 136738.[citado 2025 jun. 15 ] Available from: https://doi.org/10.1016/j.molstruc.2023.136738
Vancouver
Lima RFX, Oliveira DA, Prado CRA do, Siqueira Jr JR, Deflon VM, Hagenbach A, Abram U, Machado A E da H, Bogado AL, Maia PIS. Molecular structure determination of Nickel(II) isomers bearing bis(thiosemicarbazone) ligands: X-ray, DFT calculations and kinetic groundwork [Internet]. Journal of Molecular Structure. 2024 ;1295 136738.[citado 2025 jun. 15 ] Available from: https://doi.org/10.1016/j.molstruc.2023.136738
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
Fonte: Journal of Molecular Structure. Unidade: IQ
Assuntos: 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: 15 jun. 2025.
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 2025 jun. 15 ] 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 2025 jun. 15 ] Available from: https://doi.org/10.1016/j.molstruc.2022.134236
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
Fonte: 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: 15 jun. 2025.
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 2025 jun. 15 ] 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 2025 jun. 15 ] Available from: https://doi.org/10.1016/j.molstruc.2023.135948
Artigo de periodico
Spectroscopic characterization and quantum-chemical analysis of hydrazinyl thiazol-4(5H)-one functionalized materials to predict their key electronic and non-linear optical behavior (2023)
Mehmood, Hasnain; Akhtar, Tashfeen ; Haroon, Muhammad; Khalid, Muhammad; Braga, Ataualpa Albert Carmo ; Woodward, Simon; Alshehri, Saad M; Asghar, Muhammad Adnan
Fonte: Journal of Molecular Structure. Unidade: IQ
Assuntos: ESPECTROSCOPIA, COMPOSTOS ORGÂNICOS
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ABNT
MEHMOOD, Hasnain et al. Spectroscopic characterization and quantum-chemical analysis of hydrazinyl thiazol-4(5H)-one functionalized materials to predict their key electronic and non-linear optical behavior. Journal of Molecular Structure, v. 1288, p. 1-13 art. 135798, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2023.135798. Acesso em: 15 jun. 2025.
APA
Mehmood, H., Akhtar, T., Haroon, M., Khalid, M., Braga, A. A. C., Woodward, S., et al. (2023). Spectroscopic characterization and quantum-chemical analysis of hydrazinyl thiazol-4(5H)-one functionalized materials to predict their key electronic and non-linear optical behavior. Journal of Molecular Structure, 1288, 1-13 art. 135798. doi:10.1016/j.molstruc.2023.135798
NLM
Mehmood H, Akhtar T, Haroon M, Khalid M, Braga AAC, Woodward S, Alshehri SM, Asghar MA. Spectroscopic characterization and quantum-chemical analysis of hydrazinyl thiazol-4(5H)-one functionalized materials to predict their key electronic and non-linear optical behavior [Internet]. Journal of Molecular Structure. 2023 ; 1288 1-13 art. 135798.[citado 2025 jun. 15 ] Available from: https://doi.org/10.1016/j.molstruc.2023.135798
Vancouver
Mehmood H, Akhtar T, Haroon M, Khalid M, Braga AAC, Woodward S, Alshehri SM, Asghar MA. Spectroscopic characterization and quantum-chemical analysis of hydrazinyl thiazol-4(5H)-one functionalized materials to predict their key electronic and non-linear optical behavior [Internet]. Journal of Molecular Structure. 2023 ; 1288 1-13 art. 135798.[citado 2025 jun. 15 ] Available from: https://doi.org/10.1016/j.molstruc.2023.135798
Artigo de periodico
Casting light on synthetic, SC-XRD and quantum mechanical studies for 2,1-benzothiazine based bis-adducts (2023)
Ahmad, Shakeel; Ahmad, Matloob ; Khalid, Muhammad ; Shafiq, Muhammad; Arshad, Muhammad Nadeem ; Sultan, Sadia; Asiri, Abdullah M ; Braga, Ataualpa Albert Carmo ; Alamry, Khalid A
Fonte: Journal of Molecular Structure. Unidade: IQ
Assunto: MECÂNICA QUÂNTICA
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ABNT
AHMAD, Shakeel et al. Casting light on synthetic, SC-XRD and quantum mechanical studies for 2,1-benzothiazine based bis-adducts. Journal of Molecular Structure, v. 1272, p. 1-11, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2022.134193. Acesso em: 15 jun. 2025.
APA
Ahmad, S., Ahmad, M., Khalid, M., Shafiq, M., Arshad, M. N., Sultan, S., et al. (2023). Casting light on synthetic, SC-XRD and quantum mechanical studies for 2,1-benzothiazine based bis-adducts. Journal of Molecular Structure, 1272, 1-11. doi:10.1016/j.molstruc.2022.134193
NLM
Ahmad S, Ahmad M, Khalid M, Shafiq M, Arshad MN, Sultan S, Asiri AM, Braga AAC, Alamry KA. Casting light on synthetic, SC-XRD and quantum mechanical studies for 2,1-benzothiazine based bis-adducts [Internet]. Journal of Molecular Structure. 2023 ; 1272 1-11.[citado 2025 jun. 15 ] Available from: https://doi.org/10.1016/j.molstruc.2022.134193
Vancouver
Ahmad S, Ahmad M, Khalid M, Shafiq M, Arshad MN, Sultan S, Asiri AM, Braga AAC, Alamry KA. Casting light on synthetic, SC-XRD and quantum mechanical studies for 2,1-benzothiazine based bis-adducts [Internet]. Journal of Molecular Structure. 2023 ; 1272 1-11.[citado 2025 jun. 15 ] Available from: https://doi.org/10.1016/j.molstruc.2022.134193
Artigo de periodico
Experimental and quantum chemical approaches for Hydrazide-based crystalline organic chromophores: synthesis, SC-XRD, spectroscopic and nonlinear optical properties (2023)
Kausar, Naghmana ; Murtaza, Shahzad ; Khalid, Muhammad; Shoukat, Uzma; Asad, Mehwish; Arshad, Muhammad Nadeem ; Asiri, Abdullah M ; Braga, Ataualpa Albert Carmo
Fonte: Journal of Molecular Structure. Unidade: IQ
Assuntos: COMPOSTOS ORGÂNICOS, QUÍMICA QUÂNTICA
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ABNT
KAUSAR, Naghmana et al. Experimental and quantum chemical approaches for Hydrazide-based crystalline organic chromophores: synthesis, SC-XRD, spectroscopic and nonlinear optical properties. Journal of Molecular Structure, v. 1272, p. 1-14 art. 134208, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2022.134208. Acesso em: 15 jun. 2025.
APA
Kausar, N., Murtaza, S., Khalid, M., Shoukat, U., Asad, M., Arshad, M. N., et al. (2023). Experimental and quantum chemical approaches for Hydrazide-based crystalline organic chromophores: synthesis, SC-XRD, spectroscopic and nonlinear optical properties. Journal of Molecular Structure, 1272, 1-14 art. 134208. doi:10.1016/j.molstruc.2022.134208
NLM
Kausar N, Murtaza S, Khalid M, Shoukat U, Asad M, Arshad MN, Asiri AM, Braga AAC. Experimental and quantum chemical approaches for Hydrazide-based crystalline organic chromophores: synthesis, SC-XRD, spectroscopic and nonlinear optical properties [Internet]. Journal of Molecular Structure. 2023 ; 1272 1-14 art. 134208.[citado 2025 jun. 15 ] Available from: https://doi.org/10.1016/j.molstruc.2022.134208
Vancouver
Kausar N, Murtaza S, Khalid M, Shoukat U, Asad M, Arshad MN, Asiri AM, Braga AAC. Experimental and quantum chemical approaches for Hydrazide-based crystalline organic chromophores: synthesis, SC-XRD, spectroscopic and nonlinear optical properties [Internet]. Journal of Molecular Structure. 2023 ; 1272 1-14 art. 134208.[citado 2025 jun. 15 ] Available from: https://doi.org/10.1016/j.molstruc.2022.134208
Artigo de periodico
Unveiling geometrical isomers and tautomers of isatin-hydrazones by NMR spectroscopy (2022)
Wegermann, Camila Anchau ; Monzani, Enrico ; Casella, Luigi; Ribeiro, Marcos A ; Bruzeguini, Carlos E. T; Vilcachagua, Janaina Dantas ; Costa, Luiz Antônio S ; Ferreira, Ana Maria da Costa
Fonte: Journal of Molecular Structure. Unidade: IQ
Assuntos: ESPECTROSCOPIA, ISÔMERO, TAUTOMERIA, ESPECTROSCOPIA INFRAVERMELHA, ESPECTROSCOPIA DE RESSONÂNCIA MAGNÉTICA NUCLEAR
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ABNT
WEGERMANN, Camila Anchau et al. Unveiling geometrical isomers and tautomers of isatin-hydrazones by NMR spectroscopy. Journal of Molecular Structure, v. 1250, p. 1-15 art. 131633, 2022Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2021.131633. Acesso em: 15 jun. 2025.
APA
Wegermann, C. A., Monzani, E., Casella, L., Ribeiro, M. A., Bruzeguini, C. E. T., Vilcachagua, J. D., et al. (2022). Unveiling geometrical isomers and tautomers of isatin-hydrazones by NMR spectroscopy. Journal of Molecular Structure, 1250, 1-15 art. 131633. doi:10.1016/j.molstruc.2021.131633
NLM
Wegermann CA, Monzani E, Casella L, Ribeiro MA, Bruzeguini CET, Vilcachagua JD, Costa LAS, Ferreira AM da C. Unveiling geometrical isomers and tautomers of isatin-hydrazones by NMR spectroscopy [Internet]. Journal of Molecular Structure. 2022 ; 1250 1-15 art. 131633.[citado 2025 jun. 15 ] Available from: https://doi.org/10.1016/j.molstruc.2021.131633
Vancouver
Wegermann CA, Monzani E, Casella L, Ribeiro MA, Bruzeguini CET, Vilcachagua JD, Costa LAS, Ferreira AM da C. Unveiling geometrical isomers and tautomers of isatin-hydrazones by NMR spectroscopy [Internet]. Journal of Molecular Structure. 2022 ; 1250 1-15 art. 131633.[citado 2025 jun. 15 ] Available from: https://doi.org/10.1016/j.molstruc.2021.131633
Artigo de periodico
Rationalizing the activity of a hybrid biocatalyst for ethanol oxidation (2022)
Castro, Alexandre Alves de; Franco, Jefferson Honorio; Andrade, Adalgisa Rodrigues de ; Ramalho, Teodorico Castro
Fonte: Journal of Molecular Structure. Unidade: FFCLRP
Assuntos: ETANOL, CATALISADORES, CÉLULAS A COMBUSTÍVEL, OXIDAÇÃO
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ABNT
CASTRO, Alexandre Alves de et al. Rationalizing the activity of a hybrid biocatalyst for ethanol oxidation. Journal of Molecular Structure, v. 1268, p. 1-7, 2022Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2022.133682. Acesso em: 15 jun. 2025.
APA
Castro, A. A. de, Franco, J. H., Andrade, A. R. de, & Ramalho, T. C. (2022). Rationalizing the activity of a hybrid biocatalyst for ethanol oxidation. Journal of Molecular Structure, 1268, 1-7. doi:10.1016/j.molstruc.2022.133682
NLM
Castro AA de, Franco JH, Andrade AR de, Ramalho TC. Rationalizing the activity of a hybrid biocatalyst for ethanol oxidation [Internet]. Journal of Molecular Structure. 2022 ; 1268 1-7.[citado 2025 jun. 15 ] Available from: https://doi.org/10.1016/j.molstruc.2022.133682
Vancouver
Castro AA de, Franco JH, Andrade AR de, Ramalho TC. Rationalizing the activity of a hybrid biocatalyst for ethanol oxidation [Internet]. Journal of Molecular Structure. 2022 ; 1268 1-7.[citado 2025 jun. 15 ] Available from: https://doi.org/10.1016/j.molstruc.2022.133682
Artigo de periodico
Synthesize d thiazole-base d hydrazides and their spectral characterization along with biological studies: promising quantum chemical insights (2022)
Haroon, Muhammad; Akhtar, Tashfeen ; Khalid, Muhammad ; Zahra, Syeda Saniya; Haq, Ihsan-ul ; Assiri, Mohammed A; Imran, Muhammad ; Braga, Ataualpa Albert Carmo
Fonte: Journal of Molecular Structure. Unidade: IQ
Assuntos: INIBIDORES DE ENZIMAS, ESPECTROSCOPIA
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ABNT
HAROON, Muhammad et al. Synthesize d thiazole-base d hydrazides and their spectral characterization along with biological studies: promising quantum chemical insights. Journal of Molecular Structure, v. 1270 , p. 1-15, 2022Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2022.133923. Acesso em: 15 jun. 2025.
APA
Haroon, M., Akhtar, T., Khalid, M., Zahra, S. S., Haq, I. -ul, Assiri, M. A., et al. (2022). Synthesize d thiazole-base d hydrazides and their spectral characterization along with biological studies: promising quantum chemical insights. Journal of Molecular Structure, 1270 , 1-15. doi:10.1016/j.molstruc.2022.133923
NLM
Haroon M, Akhtar T, Khalid M, Zahra SS, Haq I-ul, Assiri MA, Imran M, Braga AAC. Synthesize d thiazole-base d hydrazides and their spectral characterization along with biological studies: promising quantum chemical insights [Internet]. Journal of Molecular Structure. 2022 ; 1270 1-15.[citado 2025 jun. 15 ] Available from: https://doi.org/10.1016/j.molstruc.2022.133923
Vancouver
Haroon M, Akhtar T, Khalid M, Zahra SS, Haq I-ul, Assiri MA, Imran M, Braga AAC. Synthesize d thiazole-base d hydrazides and their spectral characterization along with biological studies: promising quantum chemical insights [Internet]. Journal of Molecular Structure. 2022 ; 1270 1-15.[citado 2025 jun. 15 ] Available from: https://doi.org/10.1016/j.molstruc.2022.133923
Artigo de periodico
Crystal structure of BtrK, a decarboxylase involved in the (S)-4-amino-2-hydroxybutyrate (AHBA) formation during butirosin biosynthesis (2022)
Arenas, Laura Alejandra Rivas ; Paiva, Fernanda Cristina Rodrigues de ; Rossini, Nícolas de Oliveira\FF0E ; Li, Yanyan ; Spencer, Jonathan; Leadlay, Peter ; Dias, Marcio Vinicius Bertacine
Fonte: Journal of Molecular Structure. Unidade: ICB
Assuntos: MICROBIOLOGIA, ANTIBIÓTICOS, AMINOGLICOSÍDEOS, GLUTAMATOS, HIDROGÊNIO, GLICOSÍDEOS, ATIVAÇÃO ENZIMÁTICA
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ABNT
ARENAS, Laura Alejandra Rivas et al. Crystal structure of BtrK, a decarboxylase involved in the (S)-4-amino-2-hydroxybutyrate (AHBA) formation during butirosin biosynthesis. Journal of Molecular Structure, v. 1267, p. 1-10, 2022Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2022.133576. Acesso em: 15 jun. 2025.
APA
Arenas, L. A. R., Paiva, F. C. R. de, Rossini, N. de O. \F. F. 0E., Li, Y., Spencer, J., Leadlay, P., & Dias, M. V. B. (2022). Crystal structure of BtrK, a decarboxylase involved in the (S)-4-amino-2-hydroxybutyrate (AHBA) formation during butirosin biosynthesis. Journal of Molecular Structure, 1267, 1-10. doi:10.1016/j.molstruc.2022.133576
NLM
Arenas LAR, Paiva FCR de, Rossini N de O\FF0E, Li Y, Spencer J, Leadlay P, Dias MVB. Crystal structure of BtrK, a decarboxylase involved in the (S)-4-amino-2-hydroxybutyrate (AHBA) formation during butirosin biosynthesis [Internet]. Journal of Molecular Structure. 2022 ; 1267 1-10.[citado 2025 jun. 15 ] Available from: https://doi.org/10.1016/j.molstruc.2022.133576
Vancouver
Arenas LAR, Paiva FCR de, Rossini N de O\FF0E, Li Y, Spencer J, Leadlay P, Dias MVB. Crystal structure of BtrK, a decarboxylase involved in the (S)-4-amino-2-hydroxybutyrate (AHBA) formation during butirosin biosynthesis [Internet]. Journal of Molecular Structure. 2022 ; 1267 1-10.[citado 2025 jun. 15 ] Available from: https://doi.org/10.1016/j.molstruc.2022.133576
Artigo de periodico
Oxorhenium(V) complexes with a benzyldithiocarbazate ligand: synthesis, crystal structure, spectroscopic and DFT analyses (2022)
Fernandes, André G. de A; Viana, Rommel Bezerra ; Moreno-Fuquen, Rodolfo; Gatto, Claudia C; Lang, Ernesto S; Módolo, Marcelo; Silva, Amandha Kaiser da; Lemos, Sebastião S; Hagenbach, Adelheid; Abram, Ulrich ; Deflon, Victor Marcelo
Fonte: Journal of Molecular Structure. Unidade: IQSC
Assuntos: DIFRAÇÃO POR RAIOS X, ELETRÔNICA
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ABNT
FERNANDES, André G. de A et al. Oxorhenium(V) complexes with a benzyldithiocarbazate ligand: synthesis, crystal structure, spectroscopic and DFT analyses. Journal of Molecular Structure, v. 1250, n. 3, 2022Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2021.131875. Acesso em: 15 jun. 2025.
APA
Fernandes, A. G. de A., Viana, R. B., Moreno-Fuquen, R., Gatto, C. C., Lang, E. S., Módolo, M., et al. (2022). Oxorhenium(V) complexes with a benzyldithiocarbazate ligand: synthesis, crystal structure, spectroscopic and DFT analyses. Journal of Molecular Structure, 1250( 3). doi:10.1016/j.molstruc.2021.131875
NLM
Fernandes AG de A, Viana RB, Moreno-Fuquen R, Gatto CC, Lang ES, Módolo M, Silva AK da, Lemos SS, Hagenbach A, Abram U, Deflon VM. Oxorhenium(V) complexes with a benzyldithiocarbazate ligand: synthesis, crystal structure, spectroscopic and DFT analyses [Internet]. Journal of Molecular Structure. 2022 ; 1250( 3):[citado 2025 jun. 15 ] Available from: https://doi.org/10.1016/j.molstruc.2021.131875
Vancouver
Fernandes AG de A, Viana RB, Moreno-Fuquen R, Gatto CC, Lang ES, Módolo M, Silva AK da, Lemos SS, Hagenbach A, Abram U, Deflon VM. Oxorhenium(V) complexes with a benzyldithiocarbazate ligand: synthesis, crystal structure, spectroscopic and DFT analyses [Internet]. Journal of Molecular Structure. 2022 ; 1250( 3):[citado 2025 jun. 15 ] Available from: https://doi.org/10.1016/j.molstruc.2021.131875
Artigo de periodico
A facile synthesis and structural elucidation for furfural based chromophores: prediction of linear and nonlinear optical properties (2022)
Jawaria, Rifat; Khalid, Muhammad; Khan, Jallat; Khan, Muhammad Usman ; Braga, Ataualpa Albert Carmo ; Zahoor, Sidra; Alam, Mohammed Mujahid ; Imran, Muhammad
Fonte: Journal of Molecular Structure. Unidade: IQ
Assuntos: COMPOSTOS ORGÂNICOS, ESPECTROSCOPIA
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ABNT
JAWARIA, Rifat et al. A facile synthesis and structural elucidation for furfural based chromophores: prediction of linear and nonlinear optical properties. Journal of Molecular Structure, v. 1249, p. 1-10 art. 131543, 2022Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2021.131543. Acesso em: 15 jun. 2025.
APA
Jawaria, R., Khalid, M., Khan, J., Khan, M. U., Braga, A. A. C., Zahoor, S., et al. (2022). A facile synthesis and structural elucidation for furfural based chromophores: prediction of linear and nonlinear optical properties. Journal of Molecular Structure, 1249, 1-10 art. 131543. doi:10.1016/j.molstruc.2021.131543
NLM
Jawaria R, Khalid M, Khan J, Khan MU, Braga AAC, Zahoor S, Alam MM, Imran M. A facile synthesis and structural elucidation for furfural based chromophores: prediction of linear and nonlinear optical properties [Internet]. Journal of Molecular Structure. 2022 ; 1249 1-10 art. 131543.[citado 2025 jun. 15 ] Available from: https://doi.org/10.1016/j.molstruc.2021.131543
Vancouver
Jawaria R, Khalid M, Khan J, Khan MU, Braga AAC, Zahoor S, Alam MM, Imran M. A facile synthesis and structural elucidation for furfural based chromophores: prediction of linear and nonlinear optical properties [Internet]. Journal of Molecular Structure. 2022 ; 1249 1-10 art. 131543.[citado 2025 jun. 15 ] Available from: https://doi.org/10.1016/j.molstruc.2021.131543
Artigo de periodico
Spectroscopic and theoretical studies of some 2-(2′-ethylsulfanyl)acetyl-5-substituted furans and thiophenes (2022)
Rodrigues, Daniel Nopper Silva ; Olivato, Paulo Roberto ; Batista, Patrick Rodrigues ; Ducati, Lucas Colucci ; Colle, Maurizio Dal
Fonte: Journal of Molecular Structure. Unidade: IQ
Assuntos: ESPECTROSCOPIA, INFRAVERMELHO
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ABNT
RODRIGUES, Daniel Nopper Silva et al. Spectroscopic and theoretical studies of some 2-(2′-ethylsulfanyl)acetyl-5-substituted furans and thiophenes. Journal of Molecular Structure, v. 1261, p. 1-21 art. 132895, 2022Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2022.132895. Acesso em: 15 jun. 2025.
APA
Rodrigues, D. N. S., Olivato, P. R., Batista, P. R., Ducati, L. C., & Colle, M. D. (2022). Spectroscopic and theoretical studies of some 2-(2′-ethylsulfanyl)acetyl-5-substituted furans and thiophenes. Journal of Molecular Structure, 1261, 1-21 art. 132895. doi:10.1016/j.molstruc.2022.132895
NLM
Rodrigues DNS, Olivato PR, Batista PR, Ducati LC, Colle MD. Spectroscopic and theoretical studies of some 2-(2′-ethylsulfanyl)acetyl-5-substituted furans and thiophenes [Internet]. Journal of Molecular Structure. 2022 ; 1261 1-21 art. 132895.[citado 2025 jun. 15 ] Available from: https://doi.org/10.1016/j.molstruc.2022.132895
Vancouver
Rodrigues DNS, Olivato PR, Batista PR, Ducati LC, Colle MD. Spectroscopic and theoretical studies of some 2-(2′-ethylsulfanyl)acetyl-5-substituted furans and thiophenes [Internet]. Journal of Molecular Structure. 2022 ; 1261 1-21 art. 132895.[citado 2025 jun. 15 ] Available from: https://doi.org/10.1016/j.molstruc.2022.132895
Artigo de periodico
Succinylated isoniazid potential prodrug: design of Experiments (DoE) for synthesis optimization and computational study of the reaction mechanism by DFT calculations (2022)
Prieto, Diego Campos ; Araujo, Renan Vinicius de ; Lima, Sara de Souza; Assad, Felipe Zauith; Grayson, Scott M; Braga, Ataualpa Albert Carmo ; Lourenço, Felipe Rebello ; Giarolla, Jeanine
Fonte: Journal of Molecular Structure. Unidades: IQ, FCF
Assuntos: TUBERCULOSE, FÁRMACOS
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ABNT
PRIETO, Diego Campos et al. Succinylated isoniazid potential prodrug: design of Experiments (DoE) for synthesis optimization and computational study of the reaction mechanism by DFT calculations. Journal of Molecular Structure, v. 1254, p. 1-7 art. 132323, 2022Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2021.132323. Acesso em: 15 jun. 2025.
APA
Prieto, D. C., Araujo, R. V. de, Lima, S. de S., Assad, F. Z., Grayson, S. M., Braga, A. A. C., et al. (2022). Succinylated isoniazid potential prodrug: design of Experiments (DoE) for synthesis optimization and computational study of the reaction mechanism by DFT calculations. Journal of Molecular Structure, 1254, 1-7 art. 132323. doi:10.1016/j.molstruc.2021.132323
NLM
Prieto DC, Araujo RV de, Lima S de S, Assad FZ, Grayson SM, Braga AAC, Lourenço FR, Giarolla J. Succinylated isoniazid potential prodrug: design of Experiments (DoE) for synthesis optimization and computational study of the reaction mechanism by DFT calculations [Internet]. Journal of Molecular Structure. 2022 ; 1254 1-7 art. 132323.[citado 2025 jun. 15 ] Available from: https://doi.org/10.1016/j.molstruc.2021.132323
Vancouver
Prieto DC, Araujo RV de, Lima S de S, Assad FZ, Grayson SM, Braga AAC, Lourenço FR, Giarolla J. Succinylated isoniazid potential prodrug: design of Experiments (DoE) for synthesis optimization and computational study of the reaction mechanism by DFT calculations [Internet]. Journal of Molecular Structure. 2022 ; 1254 1-7 art. 132323.[citado 2025 jun. 15 ] Available from: https://doi.org/10.1016/j.molstruc.2021.132323
Artigo de periodico
Chemical kinetic properties of HNgF→HF+Ng (Ng=Ar, Kr, Xe, and Rn) reactions:: an example of fortuitous cancelling of relevant relativistic effects (2022)
Santiago, Regis Tadeu ; Haiduke, Roberto Luiz Andrade
Fonte: Journal of Molecular Structure. Unidade: IQSC
Assuntos: CINÉTICA QUÍMICA, GASES NOBRES
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ABNT
SANTIAGO, Regis Tadeu e HAIDUKE, Roberto Luiz Andrade. Chemical kinetic properties of HNgF→HF+Ng (Ng=Ar, Kr, Xe, and Rn) reactions:: an example of fortuitous cancelling of relevant relativistic effects. Journal of Molecular Structure, v. 1249, p. 131572, 2022Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2021.131572. Acesso em: 15 jun. 2025.
APA
Santiago, R. T., & Haiduke, R. L. A. (2022). Chemical kinetic properties of HNgF→HF+Ng (Ng=Ar, Kr, Xe, and Rn) reactions:: an example of fortuitous cancelling of relevant relativistic effects. Journal of Molecular Structure, 1249, 131572. doi:10.1016/j.molstruc.2021.131572
NLM
Santiago RT, Haiduke RLA. Chemical kinetic properties of HNgF→HF+Ng (Ng=Ar, Kr, Xe, and Rn) reactions:: an example of fortuitous cancelling of relevant relativistic effects [Internet]. Journal of Molecular Structure. 2022 ; 1249 131572.[citado 2025 jun. 15 ] Available from: https://doi.org/10.1016/j.molstruc.2021.131572
Vancouver
Santiago RT, Haiduke RLA. Chemical kinetic properties of HNgF→HF+Ng (Ng=Ar, Kr, Xe, and Rn) reactions:: an example of fortuitous cancelling of relevant relativistic effects [Internet]. Journal of Molecular Structure. 2022 ; 1249 131572.[citado 2025 jun. 15 ] Available from: https://doi.org/10.1016/j.molstruc.2021.131572

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