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Artigo de periodico
Ruthenium(II)-arene complexes containing β-diketonates: Leishmanicidal activity evaluated by the combination of experimental data, docking and DFT calculations (2026)
Macêdo, Roberta R.; Miranda, Victor M ; Costa, Tássia S. R. da ; Teixeira, Renata M.S.; Silva, Samuel de Souza e; Machado, Antônio E. H. ; Oliveira, Guedmiller Souza de ; Araujo, Diesley Martins da Silva ; Deflon, Victor Marcelo ; Maia, Pedro Ivo da Silva ; Yoneyama, Kelly A.G.; Von Poelhsitz, Gustavo
Source: Journal of Molecular Structure. Unidade: IQSC
Subjects: RUTÊNIO, ANTIPARASITÁRIOS, ESTRUTURA ELETRÔNICA
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ABNT
MACÊDO, Roberta R. et al. Ruthenium(II)-arene complexes containing β-diketonates: Leishmanicidal activity evaluated by the combination of experimental data, docking and DFT calculations. Journal of Molecular Structure, 2026Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2025.144215. Acesso em: 28 nov. 2025.
APA
Macêdo, R. R., Miranda, V. M., Costa, T. S. R. da, Teixeira, R. M. S., Silva, S. de S. e, Machado, A. E. H., et al. (2026). Ruthenium(II)-arene complexes containing β-diketonates: Leishmanicidal activity evaluated by the combination of experimental data, docking and DFT calculations. Journal of Molecular Structure. doi:10.1016/j.molstruc.2025.144215
NLM
Macêdo RR, Miranda VM, Costa TSR da, Teixeira RMS, Silva S de S e, Machado AEH, Oliveira GS de, Araujo DM da S, Deflon VM, Maia PI da S, Yoneyama KAG, Von Poelhsitz G. Ruthenium(II)-arene complexes containing β-diketonates: Leishmanicidal activity evaluated by the combination of experimental data, docking and DFT calculations [Internet]. Journal of Molecular Structure. 2026 ;[citado 2025 nov. 28 ] Available from: https://doi.org/10.1016/j.molstruc.2025.144215
Vancouver
Macêdo RR, Miranda VM, Costa TSR da, Teixeira RMS, Silva S de S e, Machado AEH, Oliveira GS de, Araujo DM da S, Deflon VM, Maia PI da S, Yoneyama KAG, Von Poelhsitz G. Ruthenium(II)-arene complexes containing β-diketonates: Leishmanicidal activity evaluated by the combination of experimental data, docking and DFT calculations [Internet]. Journal of Molecular Structure. 2026 ;[citado 2025 nov. 28 ] Available from: https://doi.org/10.1016/j.molstruc.2025.144215
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.
Source: Journal of Molecular Structure. Unidade: IQSC
Subjects: ANTIOXIDANTES, FLAVONOIDES
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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: 28 nov. 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 nov. 28 ] 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 nov. 28 ] Available from: https://doi.org/10.1016/j.molstruc.2024.140480
Artigo de periodico
Intramolecular Heck-Matsuda reaction for the asymmetric synthesis of a spirobenzofuran using chiral N,N-Ligands: Experimental and theoretical insights into the catalytic cycle and enantioselectivity (2025)
Silva, Vitor Hugo Menezes da ; Souza, Edson Leonardo Scarpa de ; Sampaio, Bruno S. ; Neves, João Pedro C. S ; Nascimento, Joel Leitão ; Alves, Tiago Vinicius ; Braga, Ataualpa Albert Carmo ; Correia, Carlos Roque Duarte
Source: Journal of Molecular Structure. Unidade: IQ
Subjects: LIGANTES, SÍNTESE ORGÂNICA
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SILVA, Vitor Hugo Menezes da et al. Intramolecular Heck-Matsuda reaction for the asymmetric synthesis of a spirobenzofuran using chiral N,N-Ligands: Experimental and theoretical insights into the catalytic cycle and enantioselectivity. Journal of Molecular Structure, v. 1346 n. 5, p. 1-11, 2025Tradução . . Disponível em: https://dx.doi.org/10.1016/j.molstruc.2025.143188. Acesso em: 28 nov. 2025.
APA
Silva, V. H. M. da, Souza, E. L. S. de, Sampaio, B. S., Neves, J. P. C. S., Nascimento, J. L., Alves, T. V., et al. (2025). Intramolecular Heck-Matsuda reaction for the asymmetric synthesis of a spirobenzofuran using chiral N,N-Ligands: Experimental and theoretical insights into the catalytic cycle and enantioselectivity. Journal of Molecular Structure, 1346 n. 5, 1-11. doi:10.1016/j.molstruc.2025.143188
NLM
Silva VHM da, Souza ELS de, Sampaio BS, Neves JPCS, Nascimento JL, Alves TV, Braga AAC, Correia CRD. Intramolecular Heck-Matsuda reaction for the asymmetric synthesis of a spirobenzofuran using chiral N,N-Ligands: Experimental and theoretical insights into the catalytic cycle and enantioselectivity [Internet]. Journal of Molecular Structure. 2025 ; 1346 n. 5 1-11.[citado 2025 nov. 28 ] Available from: https://dx.doi.org/10.1016/j.molstruc.2025.143188
Vancouver
Silva VHM da, Souza ELS de, Sampaio BS, Neves JPCS, Nascimento JL, Alves TV, Braga AAC, Correia CRD. Intramolecular Heck-Matsuda reaction for the asymmetric synthesis of a spirobenzofuran using chiral N,N-Ligands: Experimental and theoretical insights into the catalytic cycle and enantioselectivity [Internet]. Journal of Molecular Structure. 2025 ; 1346 n. 5 1-11.[citado 2025 nov. 28 ] Available from: https://dx.doi.org/10.1016/j.molstruc.2025.143188
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
Source: Journal of Molecular Structure. Unidade: FFCLRP
Subjects: 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: 28 nov. 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 nov. 28 ] 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 nov. 28 ] Available from: https://doi.org/10.1016/j.molstruc.2024.138119
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
Source: Journal of Molecular Structure. Unidade: IQ
Subjects: ÓPTICA NÃO LINEAR, CLORETO, BENZENO
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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: 28 nov. 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 nov. 28 ] 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 nov. 28 ] 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.
Source: Journal of Molecular Structure. Unidade: IQSC
Subjects: 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: 28 nov. 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 nov. 28 ] 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 nov. 28 ] 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
Source: Journal of Molecular Structure. Unidade: IQ
Subjects: ESPECTROSCOPIA, DIFRAÇÃO POR RAIOS X
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ABNT
AHMED, Adnan et al. Synthesis and spectroscopic characterization of Nicotinaldehyde based derivatives: SC-XRD, linear and non-linear optical studies. Journal of Molecular Structure, v. 1273, p. 1-12 art. 134236, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2022.134236. Acesso em: 28 nov. 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 nov. 28 ] Available from: https://doi.org/10.1016/j.molstruc.2022.134236
Vancouver
Ahmed A, Adeel M, Khan I, Khalid M, Raouf A, Aiman U, Villinger A, Braga AAC, Assiri MA, Imran M. Synthesis and spectroscopic characterization of Nicotinaldehyde based derivatives: SC-XRD, linear and non-linear optical studies [Internet]. Journal of Molecular Structure. 2023 ; 1273 1-12 art. 134236.[citado 2025 nov. 28 ] 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
Source: Journal of Molecular Structure. Unidade: IQ
Assunto: QUÍMICA QUÂNTICA
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ABNT
HUSSAIN, Shahid et al. Efficient synthesis of nicotinaldehyde-based crystalline organic derivatives: Comparative analysis between experimental and DFT study. Journal of Molecular Structure, v. 1290, p. 1-12 art. 135948, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2023.135948. Acesso em: 28 nov. 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 nov. 28 ] Available from: https://doi.org/10.1016/j.molstruc.2023.135948
Vancouver
Hussain S, Adeel M, Khalid M, Aiman U, Villinger A, Braga AAC, Alshehri SM, Asghar MA. Efficient synthesis of nicotinaldehyde-based crystalline organic derivatives: Comparative analysis between experimental and DFT study [Internet]. Journal of Molecular Structure. 2023 ; 1290 1-12 art. 135948.[citado 2025 nov. 28 ] 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
Source: Journal of Molecular Structure. Unidade: IQ
Subjects: 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: 28 nov. 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 nov. 28 ] 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 nov. 28 ] 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
Source: 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: 28 nov. 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 nov. 28 ] 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 nov. 28 ] 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
Source: Journal of Molecular Structure. Unidade: IQ
Subjects: 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: 28 nov. 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 nov. 28 ] 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 nov. 28 ] Available from: https://doi.org/10.1016/j.molstruc.2022.134208
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
Source: Journal of Molecular Structure. Unidade: FFCLRP
Subjects: 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: 28 nov. 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 nov. 28 ] 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 nov. 28 ] Available from: https://doi.org/10.1016/j.molstruc.2022.133682
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
Source: Journal of Molecular Structure. Unidade: IQ
Subjects: 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: 28 nov. 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 nov. 28 ] 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 nov. 28 ] Available from: https://doi.org/10.1016/j.molstruc.2021.131633
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
Source: Journal of Molecular Structure. Unidade: IQ
Subjects: INIBIDORES DE ENZIMAS, ESPECTROSCOPIA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
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: 28 nov. 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 nov. 28 ] 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 nov. 28 ] 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
Source: Journal of Molecular Structure. Unidade: ICB
Subjects: 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: 28 nov. 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 nov. 28 ] 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 nov. 28 ] Available from: https://doi.org/10.1016/j.molstruc.2022.133576
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
Source: Journal of Molecular Structure. Unidade: IQ
Subjects: 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: 28 nov. 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 nov. 28 ] 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 nov. 28 ] Available from: https://doi.org/10.1016/j.molstruc.2021.131543
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
Source: Journal of Molecular Structure. Unidade: IQSC
Subjects: 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: 28 nov. 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 nov. 28 ] 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 nov. 28 ] Available from: https://doi.org/10.1016/j.molstruc.2021.131875
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
Source: Journal of Molecular Structure. Unidade: IQ
Subjects: 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: 28 nov. 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 nov. 28 ] 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 nov. 28 ] 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
Source: Journal of Molecular Structure. Unidades: IQ, FCF
Subjects: TUBERCULOSE, FÁRMACOS
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
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: 28 nov. 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 nov. 28 ] 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 nov. 28 ] 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
Source: Journal of Molecular Structure. Unidade: IQSC
Subjects: 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: 28 nov. 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 nov. 28 ] 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 nov. 28 ] Available from: https://doi.org/10.1016/j.molstruc.2021.131572

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