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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: 12 maio 2024.
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 2024 maio 12 ] 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 2024 maio 12 ] 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: 12 maio 2024.
APA
Ahmed, A., Adeel, M., Khan, I., Khalid, M., Raouf, A., Aiman, U., et al. (2023). Synthesis and spectroscopic characterization of Nicotinaldehyde based derivatives: SC-XRD, linear and non-linear optical studies. Journal of Molecular Structure, 1273, 1-12 art. 134236. doi:10.1016/j.molstruc.2022.134236
NLM
Ahmed A, Adeel M, Khan I, Khalid M, Raouf A, Aiman U, Villinger A, Braga AAC, Assiri MA, Imran M. Synthesis and spectroscopic characterization of Nicotinaldehyde based derivatives: SC-XRD, linear and non-linear optical studies [Internet]. Journal of Molecular Structure. 2023 ; 1273 1-12 art. 134236.[citado 2024 maio 12 ] Available from: https://doi.org/10.1016/j.molstruc.2022.134236
Vancouver
Ahmed A, Adeel M, Khan I, Khalid M, Raouf A, Aiman U, Villinger A, Braga AAC, Assiri MA, Imran M. Synthesis and spectroscopic characterization of Nicotinaldehyde based derivatives: SC-XRD, linear and non-linear optical studies [Internet]. Journal of Molecular Structure. 2023 ; 1273 1-12 art. 134236.[citado 2024 maio 12 ] 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: 12 maio 2024.
APA
Hussain, S., Adeel, M., Khalid, M., Aiman, U., Villinger, A., Braga, A. A. C., et al. (2023). Efficient synthesis of nicotinaldehyde-based crystalline organic derivatives: Comparative analysis between experimental and DFT study. Journal of Molecular Structure, 1290, 1-12 art. 135948. doi:10.1016/j.molstruc.2023.135948
NLM
Hussain S, Adeel M, Khalid M, Aiman U, Villinger A, Braga AAC, Alshehri SM, Asghar MA. Efficient synthesis of nicotinaldehyde-based crystalline organic derivatives: Comparative analysis between experimental and DFT study [Internet]. Journal of Molecular Structure. 2023 ; 1290 1-12 art. 135948.[citado 2024 maio 12 ] Available from: https://doi.org/10.1016/j.molstruc.2023.135948
Vancouver
Hussain S, Adeel M, Khalid M, Aiman U, Villinger A, Braga AAC, Alshehri SM, Asghar MA. Efficient synthesis of nicotinaldehyde-based crystalline organic derivatives: Comparative analysis between experimental and DFT study [Internet]. Journal of Molecular Structure. 2023 ; 1290 1-12 art. 135948.[citado 2024 maio 12 ] Available from: https://doi.org/10.1016/j.molstruc.2023.135948
Artigo de periodico
The free hydralazine anti-hypertensive drug and new salts with improved solubility (2023)
Firmino, Pollyana Pereira ; Santiago, Pedro Henrique de Oliveira; Silva, Cecília Carolina Pinheiro da ; Honorato, João ; Ellena, Javier
Source: Journal of Molecular Structure. Unidade: IFSC
Subjects: HIPERTENSÃO, PLANEJAMENTO DE FÁRMACOS, SOLUBILIDADE, CRISTALOGRAFIA
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ABNT
FIRMINO, Pollyana Pereira et al. The free hydralazine anti-hypertensive drug and new salts with improved solubility. Journal of Molecular Structure, v. No 2023, p. 136075-1-136075-11, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2023.136075. Acesso em: 12 maio 2024.
APA
Firmino, P. P., Santiago, P. H. de O., Silva, C. C. P. da, Honorato, J., & Ellena, J. (2023). The free hydralazine anti-hypertensive drug and new salts with improved solubility. Journal of Molecular Structure, No 2023, 136075-1-136075-11. doi:10.1016/j.molstruc.2023.136075
NLM
Firmino PP, Santiago PH de O, Silva CCP da, Honorato J, Ellena J. The free hydralazine anti-hypertensive drug and new salts with improved solubility [Internet]. Journal of Molecular Structure. 2023 ; No 2023 136075-1-136075-11.[citado 2024 maio 12 ] Available from: https://doi.org/10.1016/j.molstruc.2023.136075
Vancouver
Firmino PP, Santiago PH de O, Silva CCP da, Honorato J, Ellena J. The free hydralazine anti-hypertensive drug and new salts with improved solubility [Internet]. Journal of Molecular Structure. 2023 ; No 2023 136075-1-136075-11.[citado 2024 maio 12 ] Available from: https://doi.org/10.1016/j.molstruc.2023.136075
Artigo de periodico
Palladium (II) complexes as inhibitors of cathepsin B and topoisomerase I beta: synthesis, characterization, and cytotoxicity (2023)
Akinyemi, Amos Olalekan; Pereira, George Bueno Santana; Oliveira, Gabriela Porto de; Lima, Mauro Almeida; Rocha, Josias da Silveira; Costa, Vinicius Alves; Fortaleza, Dario Batista ; Teixeira, Tamara; Zanotti, Karine; Forim, Moacir Rossi ; Honorato, João ; Ellena, Javier ; Rocha, Fillipe Vieira
Source: Journal of Molecular Structure. Unidade: IFSC
Subjects: PALÁDIO, CITOTOXINAS, DNA, CRISTALOGRAFIA
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ABNT
AKINYEMI, Amos Olalekan et al. Palladium (II) complexes as inhibitors of cathepsin B and topoisomerase I beta: synthesis, characterization, and cytotoxicity. Journal of Molecular Structure, v. 1294, p. 136460-1-136460-14 + supplementary materials, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2023.136460. Acesso em: 12 maio 2024.
APA
Akinyemi, A. O., Pereira, G. B. S., Oliveira, G. P. de, Lima, M. A., Rocha, J. da S., Costa, V. A., et al. (2023). Palladium (II) complexes as inhibitors of cathepsin B and topoisomerase I beta: synthesis, characterization, and cytotoxicity. Journal of Molecular Structure, 1294, 136460-1-136460-14 + supplementary materials. doi:10.1016/j.molstruc.2023.136460
NLM
Akinyemi AO, Pereira GBS, Oliveira GP de, Lima MA, Rocha J da S, Costa VA, Fortaleza DB, Teixeira T, Zanotti K, Forim MR, Honorato J, Ellena J, Rocha FV. Palladium (II) complexes as inhibitors of cathepsin B and topoisomerase I beta: synthesis, characterization, and cytotoxicity [Internet]. Journal of Molecular Structure. 2023 ; 1294 136460-1-136460-14 + supplementary materials.[citado 2024 maio 12 ] Available from: https://doi.org/10.1016/j.molstruc.2023.136460
Vancouver
Akinyemi AO, Pereira GBS, Oliveira GP de, Lima MA, Rocha J da S, Costa VA, Fortaleza DB, Teixeira T, Zanotti K, Forim MR, Honorato J, Ellena J, Rocha FV. Palladium (II) complexes as inhibitors of cathepsin B and topoisomerase I beta: synthesis, characterization, and cytotoxicity [Internet]. Journal of Molecular Structure. 2023 ; 1294 136460-1-136460-14 + supplementary materials.[citado 2024 maio 12 ] Available from: https://doi.org/10.1016/j.molstruc.2023.136460
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: 12 maio 2024.
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 2024 maio 12 ] 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 2024 maio 12 ] Available from: https://doi.org/10.1016/j.molstruc.2023.135798
Artigo de periodico
Molecular structure of Ru(II)/diphosphine/4,6-dimethyl-2-pyrimidinethiol complexes: a combined experimental and density functional theory study (2023)
Lima, Benedicto Augusto Vieira ; Varela Junior, Jaldyr de Jesus Gomes ; Ellena, Javier ; Batista, Alzir Azevedo ; Silva, Alberico Borges Ferreira da ; Correa, Rodrigo de Souza
Source: Journal of Molecular Structure. Unidades: IFSC, IQSC
Subjects: RUTÊNIO, ESTRUTURA MOLECULAR (QUÍMICA TEÓRICA)
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ABNT
LIMA, Benedicto Augusto Vieira et al. Molecular structure of Ru(II)/diphosphine/4,6-dimethyl-2-pyrimidinethiol complexes: a combined experimental and density functional theory study. Journal of Molecular Structure, v. 1282, p. 135234-1-135234-12, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2023.135234. Acesso em: 12 maio 2024.
APA
Lima, B. A. V., Varela Junior, J. de J. G., Ellena, J., Batista, A. A., Silva, A. B. F. da, & Correa, R. de S. (2023). Molecular structure of Ru(II)/diphosphine/4,6-dimethyl-2-pyrimidinethiol complexes: a combined experimental and density functional theory study. Journal of Molecular Structure, 1282, 135234-1-135234-12. doi:10.1016/j.molstruc.2023.135234
NLM
Lima BAV, Varela Junior J de JG, Ellena J, Batista AA, Silva ABF da, Correa R de S. Molecular structure of Ru(II)/diphosphine/4,6-dimethyl-2-pyrimidinethiol complexes: a combined experimental and density functional theory study [Internet]. Journal of Molecular Structure. 2023 ; 1282 135234-1-135234-12.[citado 2024 maio 12 ] Available from: https://doi.org/10.1016/j.molstruc.2023.135234
Vancouver
Lima BAV, Varela Junior J de JG, Ellena J, Batista AA, Silva ABF da, Correa R de S. Molecular structure of Ru(II)/diphosphine/4,6-dimethyl-2-pyrimidinethiol complexes: a combined experimental and density functional theory study [Internet]. Journal of Molecular Structure. 2023 ; 1282 135234-1-135234-12.[citado 2024 maio 12 ] Available from: https://doi.org/10.1016/j.molstruc.2023.135234
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: 12 maio 2024.
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 2024 maio 12 ] 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 2024 maio 12 ] Available from: https://doi.org/10.1016/j.molstruc.2022.134193
Artigo de periodico
Structure and in vitro antimicrobial activity of sulfamethoxazole and sulfadiazine polyiodide salts (2023)
Oliveira, Carlos Henrique de Moura; Honorato, João ; Ellena, Javier ; Oliver, Josidel Conceição; Dias, Amanda Latercia Tranches; Caldas, Ivo Santana ; Doriguetto, Antônio Carlos
Source: Journal of Molecular Structure. Unidade: IFSC
Subjects: AGENTES ANTIMICROBIANOS, SULFONAMIDAS, SOLUBILIDADE, CRISTALOGRAFIA
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ABNT
OLIVEIRA, Carlos Henrique de Moura et al. Structure and in vitro antimicrobial activity of sulfamethoxazole and sulfadiazine polyiodide salts. Journal of Molecular Structure, v. 1282, p. 135199-1-135199-15 + supplementary materials, 2023Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2023.135199. Acesso em: 12 maio 2024.
APA
Oliveira, C. H. de M., Honorato, J., Ellena, J., Oliver, J. C., Dias, A. L. T., Caldas, I. S., & Doriguetto, A. C. (2023). Structure and in vitro antimicrobial activity of sulfamethoxazole and sulfadiazine polyiodide salts. Journal of Molecular Structure, 1282, 135199-1-135199-15 + supplementary materials. doi:10.1016/j.molstruc.2023.135199
NLM
Oliveira CH de M, Honorato J, Ellena J, Oliver JC, Dias ALT, Caldas IS, Doriguetto AC. Structure and in vitro antimicrobial activity of sulfamethoxazole and sulfadiazine polyiodide salts [Internet]. Journal of Molecular Structure. 2023 ; 1282 135199-1-135199-15 + supplementary materials.[citado 2024 maio 12 ] Available from: https://doi.org/10.1016/j.molstruc.2023.135199
Vancouver
Oliveira CH de M, Honorato J, Ellena J, Oliver JC, Dias ALT, Caldas IS, Doriguetto AC. Structure and in vitro antimicrobial activity of sulfamethoxazole and sulfadiazine polyiodide salts [Internet]. Journal of Molecular Structure. 2023 ; 1282 135199-1-135199-15 + supplementary materials.[citado 2024 maio 12 ] Available from: https://doi.org/10.1016/j.molstruc.2023.135199
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: 12 maio 2024.
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 2024 maio 12 ] 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 2024 maio 12 ] 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: 12 maio 2024.
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 2024 maio 12 ] 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 2024 maio 12 ] Available from: https://doi.org/10.1016/j.molstruc.2022.133682
Artigo de periodico
Mechanochemical synthesis and characterization of a novel AAs-Flucytosine drug-drug cocrystal: a versatile model system for green approaches (2022)
Carneiro, Renato L.; Melo, Cristiane C.; Alvarenga Jr, Benedito R.; Owoyemi, Bolaji C. Dayo; Ellena, Javier ; Silva, Cecília Carolina Pinheiro da
Source: Journal of Molecular Structure. Unidade: IFSC
Subjects: PLANEJAMENTO DE FÁRMACOS, CRISTALOGRAFIA, ESTRUTURA MOLECULAR (QUÍMICA TEÓRICA)
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ABNT
CARNEIRO, Renato L. et al. Mechanochemical synthesis and characterization of a novel AAs-Flucytosine drug-drug cocrystal: a versatile model system for green approaches. Journal of Molecular Structure, v. 1251, p. 132052-1-132052-10, 2022Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2021.132052. Acesso em: 12 maio 2024.
APA
Carneiro, R. L., Melo, C. C., Alvarenga Jr, B. R., Owoyemi, B. C. D., Ellena, J., & Silva, C. C. P. da. (2022). Mechanochemical synthesis and characterization of a novel AAs-Flucytosine drug-drug cocrystal: a versatile model system for green approaches. Journal of Molecular Structure, 1251, 132052-1-132052-10. doi:10.1016/j.molstruc.2021.132052
NLM
Carneiro RL, Melo CC, Alvarenga Jr BR, Owoyemi BCD, Ellena J, Silva CCP da. Mechanochemical synthesis and characterization of a novel AAs-Flucytosine drug-drug cocrystal: a versatile model system for green approaches [Internet]. Journal of Molecular Structure. 2022 ; 1251 132052-1-132052-10.[citado 2024 maio 12 ] Available from: https://doi.org/10.1016/j.molstruc.2021.132052
Vancouver
Carneiro RL, Melo CC, Alvarenga Jr BR, Owoyemi BCD, Ellena J, Silva CCP da. Mechanochemical synthesis and characterization of a novel AAs-Flucytosine drug-drug cocrystal: a versatile model system for green approaches [Internet]. Journal of Molecular Structure. 2022 ; 1251 132052-1-132052-10.[citado 2024 maio 12 ] Available from: https://doi.org/10.1016/j.molstruc.2021.132052
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: 12 maio 2024.
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 2024 maio 12 ] 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 2024 maio 12 ] 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
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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: 12 maio 2024.
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 2024 maio 12 ] 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 2024 maio 12 ] 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． ; 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: 12 maio 2024.
APA
Arenas, L. A. R., Paiva, F. C. R. de, Rossini, N. de O. ．, 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．, 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 2024 maio 12 ] Available from: https://doi.org/10.1016/j.molstruc.2022.133576
Vancouver
Arenas LAR, Paiva FCR de, Rossini N de O．, 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 2024 maio 12 ] 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
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: 12 maio 2024.
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 2024 maio 12 ] 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 2024 maio 12 ] 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
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: 12 maio 2024.
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 2024 maio 12 ] 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 2024 maio 12 ] 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
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: 12 maio 2024.
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 2024 maio 12 ] 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 2024 maio 12 ] 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
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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: 12 maio 2024.
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 2024 maio 12 ] 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 2024 maio 12 ] 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: 12 maio 2024.
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 2024 maio 12 ] 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 2024 maio 12 ] Available from: https://doi.org/10.1016/j.molstruc.2021.131572

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