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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: 19 abr. 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 abr. 19 ] 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 abr. 19 ] 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: 19 abr. 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 abr. 19 ] 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 abr. 19 ] 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: 19 abr. 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 abr. 19 ] 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 abr. 19 ] 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: 19 abr. 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 abr. 19 ] 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 abr. 19 ] 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: 19 abr. 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 abr. 19 ] 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 abr. 19 ] 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
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: 19 abr. 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 abr. 19 ] 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 abr. 19 ] 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: 19 abr. 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 abr. 19 ] 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 abr. 19 ] Available from: https://doi.org/10.1016/j.molstruc.2022.133923
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: 19 abr. 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 abr. 19 ] 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 abr. 19 ] 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: 19 abr. 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 abr. 19 ] 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 abr. 19 ] 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: 19 abr. 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 abr. 19 ] 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 abr. 19 ] Available from: https://doi.org/10.1016/j.molstruc.2021.132323
Artigo de periodico
Non-covalent interactions abetted supramolecular arrangements of N -Substitute d b enzylidene acetohydrazide to direct its solid-state network (2021)
Khalid, Muhammad ; Ali, Akbar ; Khan, Muhammad Usman ; Tahir, Muhammad Nawaz; Ahmad, Anees ; Ashfaq, Muhammad; Hussain, Riaz; Morais, Sara Figueirêdo de Alcântara ; Braga, Ataualpa Albert Carmo
Source: Journal of Molecular Structure. Unidades: IQ, IQSC
Subjects: QUÍMICA ORGÂNICA, SÍNTESE ORGÂNICA
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ABNT
KHALID, Muhammad et al. Non-covalent interactions abetted supramolecular arrangements of N -Substitute d b enzylidene acetohydrazide to direct its solid-state network. Journal of Molecular Structure, v. 1230 p. 129827, 2021Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2020.129827. Acesso em: 19 abr. 2024.
APA
Khalid, M., Ali, A., Khan, M. U., Tahir, M. N., Ahmad, A., Ashfaq, M., et al. (2021). Non-covalent interactions abetted supramolecular arrangements of N -Substitute d b enzylidene acetohydrazide to direct its solid-state network. Journal of Molecular Structure, 1230 p. 129827. doi:10.1016/j.molstruc.2020.129827
NLM
Khalid M, Ali A, Khan MU, Tahir MN, Ahmad A, Ashfaq M, Hussain R, Morais SF de A, Braga AAC. Non-covalent interactions abetted supramolecular arrangements of N -Substitute d b enzylidene acetohydrazide to direct its solid-state network [Internet]. Journal of Molecular Structure. 2021 ; 1230 p. 129827[citado 2024 abr. 19 ] Available from: https://doi.org/10.1016/j.molstruc.2020.129827
Vancouver
Khalid M, Ali A, Khan MU, Tahir MN, Ahmad A, Ashfaq M, Hussain R, Morais SF de A, Braga AAC. Non-covalent interactions abetted supramolecular arrangements of N -Substitute d b enzylidene acetohydrazide to direct its solid-state network [Internet]. Journal of Molecular Structure. 2021 ; 1230 p. 129827[citado 2024 abr. 19 ] Available from: https://doi.org/10.1016/j.molstruc.2020.129827
Artigo de periodico
New organic photosensitizers based on triphenylamine and hydantoin as anchoring group onto TiO2 Surface (2021)
Reina, Mauricio Caicedo ; Guimarães, Robson Raphael; Ortiz, Alejandro ; Araki, Koiti ; Insuasty, Braulio
Source: Journal of Molecular Structure. Unidade: IQ
Subjects: ELÉTRONS, CORANTES, FOTOQUÍMICA
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ABNT
REINA, Mauricio Caicedo et al. New organic photosensitizers based on triphenylamine and hydantoin as anchoring group onto TiO2 Surface. Journal of Molecular Structure, v. 1251, p. 1-8, 2021Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2021.132072. Acesso em: 19 abr. 2024.
APA
Reina, M. C., Guimarães, R. R., Ortiz, A., Araki, K., & Insuasty, B. (2021). New organic photosensitizers based on triphenylamine and hydantoin as anchoring group onto TiO2 Surface. Journal of Molecular Structure, 1251, 1-8. doi:10.1016/j.molstruc.2021.132072
NLM
Reina MC, Guimarães RR, Ortiz A, Araki K, Insuasty B. New organic photosensitizers based on triphenylamine and hydantoin as anchoring group onto TiO2 Surface [Internet]. Journal of Molecular Structure. 2021 ; 1251 1-8.[citado 2024 abr. 19 ] Available from: https://doi.org/10.1016/j.molstruc.2021.132072
Vancouver
Reina MC, Guimarães RR, Ortiz A, Araki K, Insuasty B. New organic photosensitizers based on triphenylamine and hydantoin as anchoring group onto TiO2 Surface [Internet]. Journal of Molecular Structure. 2021 ; 1251 1-8.[citado 2024 abr. 19 ] Available from: https://doi.org/10.1016/j.molstruc.2021.132072
Artigo de periodico
A comprehensive study of structural, non-covalent interactions and electronic insights into N-aryl substituted thiosemicarbazones via SC-XRD and first-principles DFT approach (2021)
Pasha, Anam Rubbab; Khalid, Muhammad; Shafiq, Zahid; Khan, Muhammad Usman; Naseer, Muhammad Moazzam; Tahir, Muhammad Nawaz; Hussain, Riaz; Braga, Ataualpa Albert Carmo ; Jawaria, Rifat
Source: Journal of Molecular Structure. Unidade: IQ
Assunto: COMPOSTOS HETEROCÍCLICOS
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ABNT
PASHA, Anam Rubbab et al. A comprehensive study of structural, non-covalent interactions and electronic insights into N-aryl substituted thiosemicarbazones via SC-XRD and first-principles DFT approach. Journal of Molecular Structure, v. 1230, p. 1-11 art. 129852, 2021Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2020.129852. Acesso em: 19 abr. 2024.
APA
Pasha, A. R., Khalid, M., Shafiq, Z., Khan, M. U., Naseer, M. M., Tahir, M. N., et al. (2021). A comprehensive study of structural, non-covalent interactions and electronic insights into N-aryl substituted thiosemicarbazones via SC-XRD and first-principles DFT approach. Journal of Molecular Structure, 1230, 1-11 art. 129852. doi:10.1016/j.molstruc.2020.129852
NLM
Pasha AR, Khalid M, Shafiq Z, Khan MU, Naseer MM, Tahir MN, Hussain R, Braga AAC, Jawaria R. A comprehensive study of structural, non-covalent interactions and electronic insights into N-aryl substituted thiosemicarbazones via SC-XRD and first-principles DFT approach [Internet]. Journal of Molecular Structure. 2021 ; 1230 1-11 art. 129852.[citado 2024 abr. 19 ] Available from: https://doi.org/10.1016/j.molstruc.2020.129852
Vancouver
Pasha AR, Khalid M, Shafiq Z, Khan MU, Naseer MM, Tahir MN, Hussain R, Braga AAC, Jawaria R. A comprehensive study of structural, non-covalent interactions and electronic insights into N-aryl substituted thiosemicarbazones via SC-XRD and first-principles DFT approach [Internet]. Journal of Molecular Structure. 2021 ; 1230 1-11 art. 129852.[citado 2024 abr. 19 ] Available from: https://doi.org/10.1016/j.molstruc.2020.129852
Artigo de periodico
DNA interactions, antitubercular and cytotoxic activity of heteroleptic CuII complexes containing 1,10-phenanthroline (2021)
Almeida, Janaina do Couto ; Silva, Raphael T. C; Zanetti, Renan D; Moreira, Mariete Barbosa; Portes, Marcelo Cecconi ; Polloni, Lorena; Azevedo, Fernanda Van Petten de Vasconcelos ; Poelhsitz, Gustavo Von; Pivatto, Marcos; Netto, Adelino V. G; Ávila, Veridiana de Melo Rodrigues; Manieri, Karyn F; Pavan, Fernando Rogério ; Ferreira, Ana Maria da Costa ; Guerra, Wendell
Source: Journal of Molecular Structure. Unidade: IQ
Subjects: DNA, MYCOBACTERIUM TUBERCULOSIS, COBRE
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
ALMEIDA, Janaina do Couto et al. DNA interactions, antitubercular and cytotoxic activity of heteroleptic CuII complexes containing 1,10-phenanthroline. Journal of Molecular Structure, v. 1235, p. 1-9 art. 130234, 2021Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2021.130234. Acesso em: 19 abr. 2024.
APA
Almeida, J. do C., Silva, R. T. C., Zanetti, R. D., Moreira, M. B., Portes, M. C., Polloni, L., et al. (2021). DNA interactions, antitubercular and cytotoxic activity of heteroleptic CuII complexes containing 1,10-phenanthroline. Journal of Molecular Structure, 1235, 1-9 art. 130234. doi:10.1016/j.molstruc.2021.130234
NLM
Almeida J do C, Silva RTC, Zanetti RD, Moreira MB, Portes MC, Polloni L, Azevedo FVP de V, Poelhsitz GV, Pivatto M, Netto AVG, Ávila V de MR, Manieri KF, Pavan FR, Ferreira AM da C, Guerra W. DNA interactions, antitubercular and cytotoxic activity of heteroleptic CuII complexes containing 1,10-phenanthroline [Internet]. Journal of Molecular Structure. 2021 ; 1235 1-9 art. 130234.[citado 2024 abr. 19 ] Available from: https://doi.org/10.1016/j.molstruc.2021.130234
Vancouver
Almeida J do C, Silva RTC, Zanetti RD, Moreira MB, Portes MC, Polloni L, Azevedo FVP de V, Poelhsitz GV, Pivatto M, Netto AVG, Ávila V de MR, Manieri KF, Pavan FR, Ferreira AM da C, Guerra W. DNA interactions, antitubercular and cytotoxic activity of heteroleptic CuII complexes containing 1,10-phenanthroline [Internet]. Journal of Molecular Structure. 2021 ; 1235 1-9 art. 130234.[citado 2024 abr. 19 ] Available from: https://doi.org/10.1016/j.molstruc.2021.130234
Artigo de periodico
Conformational analysis and electronic interactions of some 2- [2 -(4 -sustituted-phenylsulfanyl)-acetyl]-5-substituted furans and 2- [2 -(phenylselanyl)-acetyl]-5-methylfuran (2021)
Valença, Jéssica; Olivato, Paulo Roberto ; Rodrigues, Daniel Nopper Silva ; Batista, Patrick Rodrigues ; Ducati, Lucas Colucci ; Colle, Maurizio Dal
Source: Journal of Molecular Structure. Unidade: IQ
Subjects: ESPECTROSCOPIA INFRAVERMELHA, COMPOSTOS HETEROCÍCLICOS, SOLVENTE
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
VALENÇA, Jéssica et al. Conformational analysis and electronic interactions of some 2- [2 -(4 -sustituted-phenylsulfanyl)-acetyl]-5-substituted furans and 2- [2 -(phenylselanyl)-acetyl]-5-methylfuran. Journal of Molecular Structure, v. 1225, p. 1-15 art. 129088, 2021Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2020.129088. Acesso em: 19 abr. 2024.
APA
Valença, J., Olivato, P. R., Rodrigues, D. N. S., Batista, P. R., Ducati, L. C., & Colle, M. D. (2021). Conformational analysis and electronic interactions of some 2- [2 -(4 -sustituted-phenylsulfanyl)-acetyl]-5-substituted furans and 2- [2 -(phenylselanyl)-acetyl]-5-methylfuran. Journal of Molecular Structure, 1225, 1-15 art. 129088. doi:10.1016/j.molstruc.2020.129088
NLM
Valença J, Olivato PR, Rodrigues DNS, Batista PR, Ducati LC, Colle MD. Conformational analysis and electronic interactions of some 2- [2 -(4 -sustituted-phenylsulfanyl)-acetyl]-5-substituted furans and 2- [2 -(phenylselanyl)-acetyl]-5-methylfuran [Internet]. Journal of Molecular Structure. 2021 ; 1225 1-15 art. 129088.[citado 2024 abr. 19 ] Available from: https://doi.org/10.1016/j.molstruc.2020.129088
Vancouver
Valença J, Olivato PR, Rodrigues DNS, Batista PR, Ducati LC, Colle MD. Conformational analysis and electronic interactions of some 2- [2 -(4 -sustituted-phenylsulfanyl)-acetyl]-5-substituted furans and 2- [2 -(phenylselanyl)-acetyl]-5-methylfuran [Internet]. Journal of Molecular Structure. 2021 ; 1225 1-15 art. 129088.[citado 2024 abr. 19 ] Available from: https://doi.org/10.1016/j.molstruc.2020.129088
Artigo de periodico
Cyclization of chalcones into N-propionyl pyrazolines for their single crystal X-ray, computational and antibacterial studies (2020)
Asad, Mohammad; Arshad, Muhammad Nadeem; Khan, Salman A; Oves, Mohammad; Khalid, Muhammad; Asiri, Abdullah M; Braga, Ataualpa Albert Carmo
Source: Journal of Molecular Structure. Unidade: IQ
Subjects: CALCOGÊNIOS, COMPOSTOS HETEROCÍCLICOS
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
ASAD, Mohammad et al. Cyclization of chalcones into N-propionyl pyrazolines for their single crystal X-ray, computational and antibacterial studies. Journal of Molecular Structure, v. 1201, p. 1-14 art. 127186, 2020Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2019.127186. Acesso em: 19 abr. 2024.
APA
Asad, M., Arshad, M. N., Khan, S. A., Oves, M., Khalid, M., Asiri, A. M., & Braga, A. A. C. (2020). Cyclization of chalcones into N-propionyl pyrazolines for their single crystal X-ray, computational and antibacterial studies. Journal of Molecular Structure, 1201, 1-14 art. 127186. doi:10.1016/j.molstruc.2019.127186
NLM
Asad M, Arshad MN, Khan SA, Oves M, Khalid M, Asiri AM, Braga AAC. Cyclization of chalcones into N-propionyl pyrazolines for their single crystal X-ray, computational and antibacterial studies [Internet]. Journal of Molecular Structure. 2020 ; 1201 1-14 art. 127186.[citado 2024 abr. 19 ] Available from: https://doi.org/10.1016/j.molstruc.2019.127186
Vancouver
Asad M, Arshad MN, Khan SA, Oves M, Khalid M, Asiri AM, Braga AAC. Cyclization of chalcones into N-propionyl pyrazolines for their single crystal X-ray, computational and antibacterial studies [Internet]. Journal of Molecular Structure. 2020 ; 1201 1-14 art. 127186.[citado 2024 abr. 19 ] Available from: https://doi.org/10.1016/j.molstruc.2019.127186
Artigo de periodico
Molecular structure of 1,4-bis(substituted-carbonyl)benzene: a combined experimental and theoretical approach (2020)
Khan, Ezzat ; Khalid, Muhammad ; Gul, Zarif; Shahzad, Adnan; Tahir, Muhammad Nawaz; Asif, Hafiz Muhammad; Asim, Sumreen; Braga, Ataualpa Albert Carmo
Source: Journal of Molecular Structure. Unidade: IQ
Subjects: DIFRAÇÃO POR RAIOS X, BENZENO, QUÍMICA DE COORDENAÇÃO
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
KHAN, Ezzat et al. Molecular structure of 1,4-bis(substituted-carbonyl)benzene: a combined experimental and theoretical approach. Journal of Molecular Structure, v. 1205, p. 1-14 art. 127633, 2020Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2019.127633. Acesso em: 19 abr. 2024.
APA
Khan, E., Khalid, M., Gul, Z., Shahzad, A., Tahir, M. N., Asif, H. M., et al. (2020). Molecular structure of 1,4-bis(substituted-carbonyl)benzene: a combined experimental and theoretical approach. Journal of Molecular Structure, 1205, 1-14 art. 127633. doi:10.1016/j.molstruc.2019.127633
NLM
Khan E, Khalid M, Gul Z, Shahzad A, Tahir MN, Asif HM, Asim S, Braga AAC. Molecular structure of 1,4-bis(substituted-carbonyl)benzene: a combined experimental and theoretical approach [Internet]. Journal of Molecular Structure. 2020 ; 1205 1-14 art. 127633.[citado 2024 abr. 19 ] Available from: https://doi.org/10.1016/j.molstruc.2019.127633
Vancouver
Khan E, Khalid M, Gul Z, Shahzad A, Tahir MN, Asif HM, Asim S, Braga AAC. Molecular structure of 1,4-bis(substituted-carbonyl)benzene: a combined experimental and theoretical approach [Internet]. Journal of Molecular Structure. 2020 ; 1205 1-14 art. 127633.[citado 2024 abr. 19 ] Available from: https://doi.org/10.1016/j.molstruc.2019.127633
Artigo de periodico
A new piperazine: spectroscopic and theoretical conformational studies (2020)
Bueno, Marco A; Moura, Rebeca Garcia ; Franco, Maurício Portiolli ; Braga, Ataualpa Albert Carmo ; Di Vitta, Cláudio ; Marzorati, Liliana
Source: Journal of Molecular Structure. Unidade: IQ
Subjects: ESPECTROSCOPIA, REAGENTES
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ABNT
BUENO, Marco A et al. A new piperazine: spectroscopic and theoretical conformational studies. Journal of Molecular Structure, v. 1203, n. 5, p. 1-5 art. 127420, 2020Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2019.127420. Acesso em: 19 abr. 2024.
APA
Bueno, M. A., Moura, R. G., Franco, M. P., Braga, A. A. C., Di Vitta, C., & Marzorati, L. (2020). A new piperazine: spectroscopic and theoretical conformational studies. Journal of Molecular Structure, 1203( 5), 1-5 art. 127420. doi:10.1016/j.molstruc.2019.127420
NLM
Bueno MA, Moura RG, Franco MP, Braga AAC, Di Vitta C, Marzorati L. A new piperazine: spectroscopic and theoretical conformational studies [Internet]. Journal of Molecular Structure. 2020 ; 1203( 5): 1-5 art. 127420.[citado 2024 abr. 19 ] Available from: https://doi.org/10.1016/j.molstruc.2019.127420
Vancouver
Bueno MA, Moura RG, Franco MP, Braga AAC, Di Vitta C, Marzorati L. A new piperazine: spectroscopic and theoretical conformational studies [Internet]. Journal of Molecular Structure. 2020 ; 1203( 5): 1-5 art. 127420.[citado 2024 abr. 19 ] Available from: https://doi.org/10.1016/j.molstruc.2019.127420
Artigo de periodico
O-4-Acetylamino-benzenesulfonylated pyrimidine derivatives: synthesis, SC-XRD, DFT analysis and electronic behaviour investigation (2020)
Khalid, Muhammad ; Ali, Akbar; Haq, Sadia; Tahir, Muhammad Nawaz; Iqbal, Javed; Braga, Ataualpa Albert Carmo ; Ashfaq, Muhammad; Akhtar, Samee Ul Hassan
Source: Journal of Molecular Structure. Unidade: IQ
Subjects: DIFRAÇÃO POR RAIOS X, ANÁLISE DE FOURIER
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
KHALID, Muhammad et al. O-4-Acetylamino-benzenesulfonylated pyrimidine derivatives: synthesis, SC-XRD, DFT analysis and electronic behaviour investigation. Journal of Molecular Structure, v. 1224, p. 1-11 art. 129308, 2020Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2020.129308. Acesso em: 19 abr. 2024.
APA
Khalid, M., Ali, A., Haq, S., Tahir, M. N., Iqbal, J., Braga, A. A. C., et al. (2020). O-4-Acetylamino-benzenesulfonylated pyrimidine derivatives: synthesis, SC-XRD, DFT analysis and electronic behaviour investigation. Journal of Molecular Structure, 1224, 1-11 art. 129308. doi:10.1016/j.molstruc.2020.129308
NLM
Khalid M, Ali A, Haq S, Tahir MN, Iqbal J, Braga AAC, Ashfaq M, Akhtar SUH. O-4-Acetylamino-benzenesulfonylated pyrimidine derivatives: synthesis, SC-XRD, DFT analysis and electronic behaviour investigation [Internet]. Journal of Molecular Structure. 2020 ; 1224 1-11 art. 129308.[citado 2024 abr. 19 ] Available from: https://doi.org/10.1016/j.molstruc.2020.129308
Vancouver
Khalid M, Ali A, Haq S, Tahir MN, Iqbal J, Braga AAC, Ashfaq M, Akhtar SUH. O-4-Acetylamino-benzenesulfonylated pyrimidine derivatives: synthesis, SC-XRD, DFT analysis and electronic behaviour investigation [Internet]. Journal of Molecular Structure. 2020 ; 1224 1-11 art. 129308.[citado 2024 abr. 19 ] Available from: https://doi.org/10.1016/j.molstruc.2020.129308
Artigo de periodico
Highly efficient one pot palladium-catalyzed synthesis of 3,5-bis (arylated) pyridines: Comparative experimental and DFT studies (2020)
Akram, Muhammad; Adeel, Muhammad; Khalid, Muhammad ; Tahir, Muhammad Nawaz; Aliabad, Hossein Asghar Rahnamaye; Ullah, Malik Aman; Iqbal, Javed; Braga, Ataualpa Albert Carmo
Source: Journal of Molecular Structure. Unidade: IQ
Subjects: PALÁDIO, RESSONÂNCIA MAGNÉTICA NUCLEAR
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ABNT
AKRAM, Muhammad et al. Highly efficient one pot palladium-catalyzed synthesis of 3,5-bis (arylated) pyridines: Comparative experimental and DFT studies. Journal of Molecular Structure, v. 1213, p. 1-15 art. 128131, 2020Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2020.128131. Acesso em: 19 abr. 2024.
APA
Akram, M., Adeel, M., Khalid, M., Tahir, M. N., Aliabad, H. A. R., Ullah, M. A., et al. (2020). Highly efficient one pot palladium-catalyzed synthesis of 3,5-bis (arylated) pyridines: Comparative experimental and DFT studies. Journal of Molecular Structure, 1213, 1-15 art. 128131. doi:10.1016/j.molstruc.2020.128131
NLM
Akram M, Adeel M, Khalid M, Tahir MN, Aliabad HAR, Ullah MA, Iqbal J, Braga AAC. Highly efficient one pot palladium-catalyzed synthesis of 3,5-bis (arylated) pyridines: Comparative experimental and DFT studies [Internet]. Journal of Molecular Structure. 2020 ; 1213 1-15 art. 128131.[citado 2024 abr. 19 ] Available from: https://doi.org/10.1016/j.molstruc.2020.128131
Vancouver
Akram M, Adeel M, Khalid M, Tahir MN, Aliabad HAR, Ullah MA, Iqbal J, Braga AAC. Highly efficient one pot palladium-catalyzed synthesis of 3,5-bis (arylated) pyridines: Comparative experimental and DFT studies [Internet]. Journal of Molecular Structure. 2020 ; 1213 1-15 art. 128131.[citado 2024 abr. 19 ] Available from: https://doi.org/10.1016/j.molstruc.2020.128131

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