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Artigo de periodico
Synthesis, characterization and crystal structure of racemic vanadyl and uranyl salen-type complexes (2021)
Mello, Lucas dos S; Martins, Felipe T; Dockal, Edward Ralph; Cruz Júnior, José W. da; Bucalon, Daniel H.; Romera, Sandra; Santos, Mirian P. dos; Lião, luciano M; Vizotto, Luciana
Source: Journal of Molecular Structure. Unidade: IQSC
Subjects: VANÁDIO, RAIOS X
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ABNT
MELLO, Lucas dos S; MARTINS, Felipe T; DOCKAL, Edward Ralph; et al. Synthesis, characterization and crystal structure of racemic vanadyl and uranyl salen-type complexes. Journal of Molecular Structure, Amsterdam, Elsevier, v. 1223, p. 129156, 2021. Disponível em: < https://doi.org/10.1016/j.molstruc.2020.129656 > DOI: 10.1016/j.molstruc.2020.129656.
APA
Mello, L. dos S., Martins, F. T., Dockal, E. R., Cruz Júnior, J. W. da, Bucalon, D. H., Romera, S., et al. (2021). Synthesis, characterization and crystal structure of racemic vanadyl and uranyl salen-type complexes. Journal of Molecular Structure, 1223, 129156. doi:10.1016/j.molstruc.2020.129656
NLM
Mello L dos S, Martins FT, Dockal ER, Cruz Júnior JW da, Bucalon DH, Romera S, Santos MP dos, Lião luciano M, Vizotto L. Synthesis, characterization and crystal structure of racemic vanadyl and uranyl salen-type complexes [Internet]. Journal of Molecular Structure. 2021 ; 1223 129156.Available from: https://doi.org/10.1016/j.molstruc.2020.129656
Vancouver
Mello L dos S, Martins FT, Dockal ER, Cruz Júnior JW da, Bucalon DH, Romera S, Santos MP dos, Lião luciano M, Vizotto L. Synthesis, characterization and crystal structure of racemic vanadyl and uranyl salen-type complexes [Internet]. Journal of Molecular Structure. 2021 ; 1223 129156.Available from: https://doi.org/10.1016/j.molstruc.2020.129656
Artigo de periodico
Drug design of new sigma-1 antagonists against neuropathic pain: A QSAR study using partial least squares and artificial neural networks (2021)
Chiari, Laise Pellegrini Alencar; Silva, Aldineia Pereira da; Oliveira, Aline A; Lipinski, Célio Fernando ; Honório, Káthia Maria ; Silva, Alberico Borges Ferreira da
Source: Journal of Molecular Structure. Unidades: EACH, IQSC
Subjects: QUALIDADE DE VIDA, NEUROLOGIA
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ABNT
CHIARI, Laise Pellegrini Alencar; SILVA, Aldineia Pereira da; OLIVEIRA, Aline A; et al. Drug design of new sigma-1 antagonists against neuropathic pain: A QSAR study using partial least squares and artificial neural networks. Journal of Molecular Structure, Amsterdam, Elsevier, v. 1223, p. 129156, 2021. Disponível em: < https://doi.org/10.1016/j.molstruc.2020.129156 > DOI: 10.1016/j.molstruc.2020.129156.
APA
Chiari, L. P. A., Silva, A. P. da, Oliveira, A. A., Lipinski, C. F., Honório, K. M., & Silva, A. B. F. da. (2021). Drug design of new sigma-1 antagonists against neuropathic pain: A QSAR study using partial least squares and artificial neural networks. Journal of Molecular Structure, 1223, 129156. doi:10.1016/j.molstruc.2020.129156
NLM
Chiari LPA, Silva AP da, Oliveira AA, Lipinski CF, Honório KM, Silva ABF da. Drug design of new sigma-1 antagonists against neuropathic pain: A QSAR study using partial least squares and artificial neural networks [Internet]. Journal of Molecular Structure. 2021 ; 1223 129156.Available from: https://doi.org/10.1016/j.molstruc.2020.129156
Vancouver
Chiari LPA, Silva AP da, Oliveira AA, Lipinski CF, Honório KM, Silva ABF da. Drug design of new sigma-1 antagonists against neuropathic pain: A QSAR study using partial least squares and artificial neural networks [Internet]. Journal of Molecular Structure. 2021 ; 1223 129156.Available from: https://doi.org/10.1016/j.molstruc.2020.129156
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; MOURA, Rebeca Garcia; FRANCO, Maurício Portiolli; et al. A new piperazine: spectroscopic and theoretical conformational studies. Journal of Molecular Structure, Amsterdam, v. 1203, n. 5, p. 1-5 art. 127420, 2020. Disponível em: < http://dx.doi.org/ 10.1016/j.molstruc.2019.127420 > DOI: 10.1016/j.molstruc.2019.127420.
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.Available from: http://dx.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.Available from: http://dx.doi.org/ 10.1016/j.molstruc.2019.127420
Artigo de periodico
New allyldithiocarbimate salts: synthesis, structure and antifungal activity (2020)
Albuini-Oliveira, Nathália M.; Rubinger, Mayura M. M.; Guilardi, Silvana; Souza, Rafael A. C.; Ellena, Javier ; Alvarez, Natalia; Tavares, Eder C.; Zacchi, Carlos H. C.; Vidigal, Antonio E. C.; Lima, Marcelo S.; Zambolim, Laercio
Source: Journal of Molecular Structure. Unidade: IFSC
Subjects: CRISTALOGRAFIA, PLANEJAMENTO DE FÁRMACOS, ANTIFÚNGICOS
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ABNT
ALBUINI-OLIVEIRA, Nathália M.; RUBINGER, Mayura M. M.; GUILARDI, Silvana; et al. New allyldithiocarbimate salts: synthesis, structure and antifungal activity. Journal of Molecular Structure, Amsterdam, Elsevier BV, v. 1214, p. 128149-1-128149-16, 2020. Disponível em: < http://dx.doi.org/10.1016/j.molstruc.2020.128149 > DOI: 10.1016/j.molstruc.2020.128149.
APA
Albuini-Oliveira, N. M., Rubinger, M. M. M., Guilardi, S., Souza, R. A. C., Ellena, J., Alvarez, N., et al. (2020). New allyldithiocarbimate salts: synthesis, structure and antifungal activity. Journal of Molecular Structure, 1214, 128149-1-128149-16. doi:10.1016/j.molstruc.2020.128149
NLM
Albuini-Oliveira NM, Rubinger MMM, Guilardi S, Souza RAC, Ellena J, Alvarez N, Tavares EC, Zacchi CHC, Vidigal AEC, Lima MS, Zambolim L. New allyldithiocarbimate salts: synthesis, structure and antifungal activity [Internet]. Journal of Molecular Structure. 2020 ; 1214 128149-1-128149-16.Available from: http://dx.doi.org/10.1016/j.molstruc.2020.128149
Vancouver
Albuini-Oliveira NM, Rubinger MMM, Guilardi S, Souza RAC, Ellena J, Alvarez N, Tavares EC, Zacchi CHC, Vidigal AEC, Lima MS, Zambolim L. New allyldithiocarbimate salts: synthesis, structure and antifungal activity [Internet]. Journal of Molecular Structure. 2020 ; 1214 128149-1-128149-16.Available from: http://dx.doi.org/10.1016/j.molstruc.2020.128149
Artigo de periodico
Benzenesulfonyl incorporated chalcones: synthesis, structural and optical properties (2020)
Custodio, Jean M. F.; Gotardo, Fernando; Vaz, Wesley F.; D'Oliveira, Giulio D. C.; Almeida, Leonardo Rodrigues de; Fonseca, Ruben Dario; Cocca, Leandro Henrique Zucolotto; Perez, Caridad Noda; De Boni, Leonardo ; Napolitano, Hamilton B.; Oliver, Allen G.
Source: Journal of Molecular Structure. Unidade: IFSC
Subjects: CRISTALOGRAFIA, ÓPTICA
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ABNT
CUSTODIO, Jean M. F.; GOTARDO, Fernando; VAZ, Wesley F.; et al. Benzenesulfonyl incorporated chalcones: synthesis, structural and optical properties. Journal of Molecular Structure, Amsterdam, Elsevier BV, v. 1208, p. 127845-1-127845-11, 2020. Disponível em: < http://dx.doi.org/10.1016/j.molstruc.2020.127845 > DOI: 10.1016/j.molstruc.2020.127845.
APA
Custodio, J. M. F., Gotardo, F., Vaz, W. F., D'Oliveira, G. D. C., Almeida, L. R. de, Fonseca, R. D., et al. (2020). Benzenesulfonyl incorporated chalcones: synthesis, structural and optical properties. Journal of Molecular Structure, 1208, 127845-1-127845-11. doi:10.1016/j.molstruc.2020.127845
NLM
Custodio JMF, Gotardo F, Vaz WF, D'Oliveira GDC, Almeida LR de, Fonseca RD, Cocca LHZ, Perez CN, De Boni L, Napolitano HB, Oliver AG. Benzenesulfonyl incorporated chalcones: synthesis, structural and optical properties [Internet]. Journal of Molecular Structure. 2020 ; 1208 127845-1-127845-11.Available from: http://dx.doi.org/10.1016/j.molstruc.2020.127845
Vancouver
Custodio JMF, Gotardo F, Vaz WF, D'Oliveira GDC, Almeida LR de, Fonseca RD, Cocca LHZ, Perez CN, De Boni L, Napolitano HB, Oliver AG. Benzenesulfonyl incorporated chalcones: synthesis, structural and optical properties [Internet]. Journal of Molecular Structure. 2020 ; 1208 127845-1-127845-11.Available from: http://dx.doi.org/10.1016/j.molstruc.2020.127845
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
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ABNT
KHAN, Ezzat; KHALID, Muhammad; GUL, Zarif; et al. Molecular structure of 1,4-bis(substituted-carbonyl)benzene: a combined experimental and theoretical approach. Journal of Molecular Structure, Amsterdam, v. 1205, p. 1-14 art. 127633, 2020. Disponível em: < http://dx.doi.org/10.1016/j.molstruc.2019.127633 > DOI: 10.1016/j.molstruc.2019.127633.
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.Available from: http://dx.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.Available from: http://dx.doi.org/10.1016/j.molstruc.2019.127633
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
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ABNT
ASAD, Mohammad; ARSHAD, Muhammad Nadeem; KHAN, Salman A; et al. Cyclization of chalcones into N-propionyl pyrazolines for their single crystal X-ray, computational and antibacterial studies. Journal of Molecular Structure, Amsterdam, v. 1201, p. 1-14 art. 127186, 2020. Disponível em: < http://dx.doi.org/10.1016/j.molstruc.2019.127186 > DOI: 10.1016/j.molstruc.2019.127186.
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.Available from: http://dx.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.Available from: http://dx.doi.org/10.1016/j.molstruc.2019.127186
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; ADEEL, Muhammad; KHALID, 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, Amsterdam, v. 1213, p. 1-15 art. 128131, 2020. Disponível em: < http://dx.doi.org/10.1016/j.molstruc.2020.128131 > DOI: 10.1016/j.molstruc.2020.128131.
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.Available from: http://dx.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.Available from: http://dx.doi.org/10.1016/j.molstruc.2020.128131
Artigo de periodico
Group 10 metal complexes with a tetradentate thiosemicarbazonate ligand: Synthesis, crystal structures and computational insights into the catalysis for C–C coupling via Mizoroki-Heck reaction (2020)
Lima, Jackelinne C; Nascimento, Rebecca D.; Vilarinho, Luana M.; Borges, Alice P.; Silva, Leonardo H.F.; Souza, Jhonathan R.; Dinelli, Luis R.; Deflon, Victor Marcelo ; Machado, Antonio E. da Hora; Bogado, André L.; Pedro I.S.
Source: Journal of Molecular Structure. Unidade: IQSC
Assunto: CATÁLISE
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ABNT
LIMA, Jackelinne C; NASCIMENTO, Rebecca D.; VILARINHO, Luana M.; et al. Group 10 metal complexes with a tetradentate thiosemicarbazonate ligand: Synthesis, crystal structures and computational insights into the catalysis for C–C coupling via Mizoroki-Heck reaction. Journal of Molecular Structure, Amsterdam, Elsevier, v. 1199, p. 126997, 2020. Disponível em: < https://doi.org/10.1016/j.molstruc.2019.126997 > DOI: 10.1016/j.molstruc.2019.126997.
APA
Lima, J. C., Nascimento, R. D., Vilarinho, L. M., Borges, A. P., Silva, L. H. F., Souza, J. R., et al. (2020). Group 10 metal complexes with a tetradentate thiosemicarbazonate ligand: Synthesis, crystal structures and computational insights into the catalysis for C–C coupling via Mizoroki-Heck reaction. Journal of Molecular Structure, 1199, 126997. doi:10.1016/j.molstruc.2019.126997
NLM
Lima JC, Nascimento RD, Vilarinho LM, Borges AP, Silva LHF, Souza JR, Dinelli LR, Deflon VM, Machado AE da H, Bogado AL, Pedro I.S. Group 10 metal complexes with a tetradentate thiosemicarbazonate ligand: Synthesis, crystal structures and computational insights into the catalysis for C–C coupling via Mizoroki-Heck reaction [Internet]. Journal of Molecular Structure. 2020 ; 1199 126997.Available from: https://doi.org/10.1016/j.molstruc.2019.126997
Vancouver
Lima JC, Nascimento RD, Vilarinho LM, Borges AP, Silva LHF, Souza JR, Dinelli LR, Deflon VM, Machado AE da H, Bogado AL, Pedro I.S. Group 10 metal complexes with a tetradentate thiosemicarbazonate ligand: Synthesis, crystal structures and computational insights into the catalysis for C–C coupling via Mizoroki-Heck reaction [Internet]. Journal of Molecular Structure. 2020 ; 1199 126997.Available from: https://doi.org/10.1016/j.molstruc.2019.126997
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
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ABNT
KHALID, Muhammad; ALI, Akbar; HAQ, Sadia; et al. O-4-Acetylamino-benzenesulfonylated pyrimidine derivatives: synthesis, SC-XRD, DFT analysis and electronic behaviour investigation. Journal of Molecular Structure, Amsterdam, v. 1224, p. 1-11 art. 129308, 2020. Disponível em: < http://dx.doi.org/10.1016/j.molstruc.2020.129308 > DOI: 10.1016/j.molstruc.2020.129308.
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.Available from: http://dx.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.Available from: http://dx.doi.org/10.1016/j.molstruc.2020.129308
Artigo de periodico
A potent synthesis and supramolecular synthon hierarchy percipience of (E)-Nʹ-(Napthalen-1-yl-methylene)-benzenesulfonohydrazide and 1-Napthaldehyde: A combined experimental and DFT studies (2020)
Arshad, Muhammad Nadeem; Hussain, Mohammad Musarraf; Asiri, Abdullah M; Khalid, Muhammad ; Braga, Ataualpa Albert Carmo ; Rahman, Mohammad M
Source: Journal of Molecular Structure. Unidade: IQ
Subjects: SULFONAMIDAS, INFECÇÕES BACTERIANAS, ALDEÍDOS
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ABNT
ARSHAD, Muhammad Nadeem; HUSSAIN, Mohammad Musarraf; ASIRI, Abdullah M; et al. A potent synthesis and supramolecular synthon hierarchy percipience of (E)-Nʹ-(Napthalen-1-yl-methylene)-benzenesulfonohydrazide and 1-Napthaldehyde: A combined experimental and DFT studies. Journal of Molecular Structure, Amsterdam, v. 1221, p. 1-8 art. 128797, 2020. Disponível em: < http://dx.doi.org/10.1016/j.molstruc.2020.128797 > DOI: 10.1016/j.molstruc.2020.128797.
APA
Arshad, M. N., Hussain, M. M., Asiri, A. M., Khalid, M., Braga, A. A. C., & Rahman, M. M. (2020). A potent synthesis and supramolecular synthon hierarchy percipience of (E)-Nʹ-(Napthalen-1-yl-methylene)-benzenesulfonohydrazide and 1-Napthaldehyde: A combined experimental and DFT studies. Journal of Molecular Structure, 1221, 1-8 art. 128797. doi:10.1016/j.molstruc.2020.128797
NLM
Arshad MN, Hussain MM, Asiri AM, Khalid M, Braga AAC, Rahman MM. A potent synthesis and supramolecular synthon hierarchy percipience of (E)-Nʹ-(Napthalen-1-yl-methylene)-benzenesulfonohydrazide and 1-Napthaldehyde: A combined experimental and DFT studies [Internet]. Journal of Molecular Structure. 2020 ; 1221 1-8 art. 128797.Available from: http://dx.doi.org/10.1016/j.molstruc.2020.128797
Vancouver
Arshad MN, Hussain MM, Asiri AM, Khalid M, Braga AAC, Rahman MM. A potent synthesis and supramolecular synthon hierarchy percipience of (E)-Nʹ-(Napthalen-1-yl-methylene)-benzenesulfonohydrazide and 1-Napthaldehyde: A combined experimental and DFT studies [Internet]. Journal of Molecular Structure. 2020 ; 1221 1-8 art. 128797.Available from: http://dx.doi.org/10.1016/j.molstruc.2020.128797
Artigo de periodico
2-Amino-3-methylpyridinium, 2-amino-4-methylbenzothiazolium and 2-amino-5-chloropyridinium salts. experimental and theoretical findings (2020)
Hanif, Muhammad; Tahir, Muhammad Nawaz; Morais, Sara Figueirêdo de Alcântara ; Braga, Ataualpa Albert Carmo ; Khan, Ezzat
Source: Journal of Molecular Structure. Unidade: IQ
Subjects: SAIS, ÁCIDOS
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ABNT
HANIF, Muhammad; TAHIR, Muhammad Nawaz; MORAIS, Sara Figueirêdo de Alcântara; BRAGA, Ataualpa Albert Carmo; KHAN, Ezzat. 2-Amino-3-methylpyridinium, 2-amino-4-methylbenzothiazolium and 2-amino-5-chloropyridinium salts. experimental and theoretical findings. Journal of Molecular Structure, Amsterdam, v. 1222, p. 1-16 art. 128914, 2020. Disponível em: < http://dx.doi.org/10.1016/j.molstruc.2020.128914 > DOI: 10.1016/j.molstruc.2020.128914.
APA
Hanif, M., Tahir, M. N., Morais, S. F. de A., Braga, A. A. C., & Khan, E. (2020). 2-Amino-3-methylpyridinium, 2-amino-4-methylbenzothiazolium and 2-amino-5-chloropyridinium salts. experimental and theoretical findings. Journal of Molecular Structure, 1222, 1-16 art. 128914. doi:10.1016/j.molstruc.2020.128914
NLM
Hanif M, Tahir MN, Morais SF de A, Braga AAC, Khan E. 2-Amino-3-methylpyridinium, 2-amino-4-methylbenzothiazolium and 2-amino-5-chloropyridinium salts. experimental and theoretical findings [Internet]. Journal of Molecular Structure. 2020 ; 1222 1-16 art. 128914.Available from: http://dx.doi.org/10.1016/j.molstruc.2020.128914
Vancouver
Hanif M, Tahir MN, Morais SF de A, Braga AAC, Khan E. 2-Amino-3-methylpyridinium, 2-amino-4-methylbenzothiazolium and 2-amino-5-chloropyridinium salts. experimental and theoretical findings [Internet]. Journal of Molecular Structure. 2020 ; 1222 1-16 art. 128914.Available from: http://dx.doi.org/10.1016/j.molstruc.2020.128914
Artigo de periodico
On the conformation, molecular interactions and electron density of a natural flavonoid derivative (2020)
Niquini, Fabiano M.; Tenorio, Juan C.; Silva, Maria F. G. F.; Ribeiro, Alan B.; Wanderley, Adilson; Ellena, Javier ; Corrêa, Rodrigo S.
Source: Journal of Molecular Structure. Unidade: IFSC
Subjects: FLAVONOIDES, ESTRUTURA MOLECULAR (QUÍMICA TEÓRICA), DIFRAÇÃO POR RAIOS X
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ABNT
NIQUINI, Fabiano M.; TENORIO, Juan C.; SILVA, Maria F. G. F.; et al. On the conformation, molecular interactions and electron density of a natural flavonoid derivative. Journal of Molecular Structure, Amsterdam, Elsevier BV, v. No 2020, p. 128632-1-128632-13, 2020. Disponível em: < http://dx.doi.org/10.1016/j.molstruc.2020.128632 > DOI: 10.1016/j.molstruc.2020.128632.
APA
Niquini, F. M., Tenorio, J. C., Silva, M. F. G. F., Ribeiro, A. B., Wanderley, A., Ellena, J., & Corrêa, R. S. (2020). On the conformation, molecular interactions and electron density of a natural flavonoid derivative. Journal of Molecular Structure, No 2020, 128632-1-128632-13. doi:10.1016/j.molstruc.2020.128632
NLM
Niquini FM, Tenorio JC, Silva MFGF, Ribeiro AB, Wanderley A, Ellena J, Corrêa RS. On the conformation, molecular interactions and electron density of a natural flavonoid derivative [Internet]. Journal of Molecular Structure. 2020 ; No 2020 128632-1-128632-13.Available from: http://dx.doi.org/10.1016/j.molstruc.2020.128632
Vancouver
Niquini FM, Tenorio JC, Silva MFGF, Ribeiro AB, Wanderley A, Ellena J, Corrêa RS. On the conformation, molecular interactions and electron density of a natural flavonoid derivative [Internet]. Journal of Molecular Structure. 2020 ; No 2020 128632-1-128632-13.Available from: http://dx.doi.org/10.1016/j.molstruc.2020.128632
Artigo de periodico
Molecular salts of terephthalic acids with 2-aminopyridine and 2-aminothiazole derivatives as potential antioxidant agents: base-Acid-Base type architectures (2020)
Khan, Ezzat ; Khan, Abdullah; Gul, Zarif; Ullah, Farhat; Tahir, Muhammad Nawaz; Khalid, Muhammad ; Asif, Hafiz Muhammad; Asim, Sumreen; Braga, Ataualpa Albert Carmo
Source: Journal of Molecular Structure. Unidade: IQ
Subjects: ANTIOXIDANTES, ENZIMAS, SAIS
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ABNT
KHAN, Ezzat; KHAN, Abdullah; GUL, Zarif; et al. Molecular salts of terephthalic acids with 2-aminopyridine and 2-aminothiazole derivatives as potential antioxidant agents: base-Acid-Base type architectures. Journal of Molecular Structure, Amsterdam, v. 1200, p. 1-15 art. 127126, 2020. Disponível em: < http://dx.doi.org/10.1016/j.molstruc.2019.127126 > DOI: 10.1016/j.molstruc.2019.127126.
APA
Khan, E., Khan, A., Gul, Z., Ullah, F., Tahir, M. N., Khalid, M., et al. (2020). Molecular salts of terephthalic acids with 2-aminopyridine and 2-aminothiazole derivatives as potential antioxidant agents: base-Acid-Base type architectures. Journal of Molecular Structure, 1200, 1-15 art. 127126. doi:10.1016/j.molstruc.2019.127126
NLM
Khan E, Khan A, Gul Z, Ullah F, Tahir MN, Khalid M, Asif HM, Asim S, Braga AAC. Molecular salts of terephthalic acids with 2-aminopyridine and 2-aminothiazole derivatives as potential antioxidant agents: base-Acid-Base type architectures [Internet]. Journal of Molecular Structure. 2020 ; 1200 1-15 art. 127126.Available from: http://dx.doi.org/10.1016/j.molstruc.2019.127126
Vancouver
Khan E, Khan A, Gul Z, Ullah F, Tahir MN, Khalid M, Asif HM, Asim S, Braga AAC. Molecular salts of terephthalic acids with 2-aminopyridine and 2-aminothiazole derivatives as potential antioxidant agents: base-Acid-Base type architectures [Internet]. Journal of Molecular Structure. 2020 ; 1200 1-15 art. 127126.Available from: http://dx.doi.org/10.1016/j.molstruc.2019.127126
Artigo de periodico
Experimental and computational investigations of new indole derivatives: a combined spectroscopic, SC-XRD, DFT/TD-DFT and QTAIM analysis (2020)
Tariq, Sobia; Raza, Abdul Rauf; Rubab, Syeda Laila; Khalid, Muhammad ; Morais, Sara Figueirêdo de Alcântara ; Khan, Muhammad Usman ; Tahir, Muhammad Nawaz; Braga, Ataualpa Albert Carmo
Source: Journal of Molecular Structure. Unidade: IQ
Subjects: ANÁLISE ESPECTROSCÓPICA, ALCALOIDES
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
TARIQ, Sobia; RAZA, Abdul Rauf; RUBAB, Syeda Laila; et al. Experimental and computational investigations of new indole derivatives: a combined spectroscopic, SC-XRD, DFT/TD-DFT and QTAIM analysis. Journal of Molecular Structure, Amsterdam, v. 1207, p. 1-16 art. 127803, 2020. Disponível em: < http://dx.doi.org/10.1016/j.molstruc.2020.127803 > DOI: 10.1016/j.molstruc.2020.127803.
APA
Tariq, S., Raza, A. R., Rubab, S. L., Khalid, M., Morais, S. F. de A., Khan, M. U., et al. (2020). Experimental and computational investigations of new indole derivatives: a combined spectroscopic, SC-XRD, DFT/TD-DFT and QTAIM analysis. Journal of Molecular Structure, 1207, 1-16 art. 127803. doi:10.1016/j.molstruc.2020.127803
NLM
Tariq S, Raza AR, Rubab SL, Khalid M, Morais SF de A, Khan MU, Tahir MN, Braga AAC. Experimental and computational investigations of new indole derivatives: a combined spectroscopic, SC-XRD, DFT/TD-DFT and QTAIM analysis [Internet]. Journal of Molecular Structure. 2020 ; 1207 1-16 art. 127803.Available from: http://dx.doi.org/10.1016/j.molstruc.2020.127803
Vancouver
Tariq S, Raza AR, Rubab SL, Khalid M, Morais SF de A, Khan MU, Tahir MN, Braga AAC. Experimental and computational investigations of new indole derivatives: a combined spectroscopic, SC-XRD, DFT/TD-DFT and QTAIM analysis [Internet]. Journal of Molecular Structure. 2020 ; 1207 1-16 art. 127803.Available from: http://dx.doi.org/10.1016/j.molstruc.2020.127803
Artigo de periodico
Crystal structures and DFT analysis of Palladium(II) complexes with Schiff bases derived from N,N-dialkyl-p-phenylenediamines (2020)
Sarto, Luís Eduardo; Badaró, Wladimir Pereira Duarte; Gois, Elba Pereira de; Barbosa, Marília Imaculada Frazão; Torres, Claudia; Viana, Rommel Bezerra; Honorato, João; Castellano, Eduardo Ernesto ; Almeida, Eduardo Tonon de
Source: Journal of Molecular Structure. Unidade: IFSC
Subjects: CRISTALOGRAFIA, ESPECTROSCOPIA, STAPHYLOCOCCUS
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ABNT
SARTO, Luís Eduardo; BADARÓ, Wladimir Pereira Duarte; GOIS, Elba Pereira de; et al. Crystal structures and DFT analysis of Palladium(II) complexes with Schiff bases derived from N,N-dialkyl-p-phenylenediamines. Journal of Molecular Structure, Amsterdam, Elsevier BV, v. 1204, p. 127549-1-127549-14, 2020. Disponível em: < http://dx.doi.org/10.1016/j.molstruc.2019.127549 > DOI: 10.1016/j.molstruc.2019.127549.
APA
Sarto, L. E., Badaró, W. P. D., Gois, E. P. de, Barbosa, M. I. F., Torres, C., Viana, R. B., et al. (2020). Crystal structures and DFT analysis of Palladium(II) complexes with Schiff bases derived from N,N-dialkyl-p-phenylenediamines. Journal of Molecular Structure, 1204, 127549-1-127549-14. doi:10.1016/j.molstruc.2019.127549
NLM
Sarto LE, Badaró WPD, Gois EP de, Barbosa MIF, Torres C, Viana RB, Honorato J, Castellano EE, Almeida ET de. Crystal structures and DFT analysis of Palladium(II) complexes with Schiff bases derived from N,N-dialkyl-p-phenylenediamines [Internet]. Journal of Molecular Structure. 2020 ; 1204 127549-1-127549-14.Available from: http://dx.doi.org/10.1016/j.molstruc.2019.127549
Vancouver
Sarto LE, Badaró WPD, Gois EP de, Barbosa MIF, Torres C, Viana RB, Honorato J, Castellano EE, Almeida ET de. Crystal structures and DFT analysis of Palladium(II) complexes with Schiff bases derived from N,N-dialkyl-p-phenylenediamines [Internet]. Journal of Molecular Structure. 2020 ; 1204 127549-1-127549-14.Available from: http://dx.doi.org/10.1016/j.molstruc.2019.127549
Artigo de periodico
Synthesis and structural analysis of novel indole derivatives by XRD, spectroscopic and DFT studies (2020)
Tariq, Sobia; Raza, Abdul Rauf; Khalid, Muhammad; Rubab, Syeda Laila; Khan, Muhammad Usman; Ali, Akbar; Tahir, Muhammad Nawaz; Braga, Ataualpa Albert Carmo
Source: Journal of Molecular Structure. Unidade: IQ
Subjects: DIFRAÇÃO POR RAIOS X, ALCALOIDES
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
TARIQ, Sobia; RAZA, Abdul Rauf; KHALID, Muhammad; et al. Synthesis and structural analysis of novel indole derivatives by XRD, spectroscopic and DFT studies. Journal of Molecular Structure, Amsterdam, v. 1203, p. 1-15 art. 127438, 2020. Disponível em: < http://dx.doi.org/10.1016/j.molstruc.2019.127438 > DOI: 10.1016/j.molstruc.2019.127438.
APA
Tariq, S., Raza, A. R., Khalid, M., Rubab, S. L., Khan, M. U., Ali, A., et al. (2020). Synthesis and structural analysis of novel indole derivatives by XRD, spectroscopic and DFT studies. Journal of Molecular Structure, 1203, 1-15 art. 127438. doi:10.1016/j.molstruc.2019.127438
NLM
Tariq S, Raza AR, Khalid M, Rubab SL, Khan MU, Ali A, Tahir MN, Braga AAC. Synthesis and structural analysis of novel indole derivatives by XRD, spectroscopic and DFT studies [Internet]. Journal of Molecular Structure. 2020 ; 1203 1-15 art. 127438.Available from: http://dx.doi.org/10.1016/j.molstruc.2019.127438
Vancouver
Tariq S, Raza AR, Khalid M, Rubab SL, Khan MU, Ali A, Tahir MN, Braga AAC. Synthesis and structural analysis of novel indole derivatives by XRD, spectroscopic and DFT studies [Internet]. Journal of Molecular Structure. 2020 ; 1203 1-15 art. 127438.Available from: http://dx.doi.org/10.1016/j.molstruc.2019.127438
Artigo de periodico
Synthesis and X-ray crystal structures of polyfunctionalized 4 H -chromene derivatives via tricomponent reaction with Knoevenagel adducts as intermediates in aqueous medium (2020)
Zanin, Lucas Lima; Porto, André Luiz Meleiro ; Jimenez, David Esteban Quintero; Jesus, Matheus Pereira de ; Diniz, Luan Farinelli ; Ellena, Javier
Source: Journal of Molecular Structure. Unidades: IFSC, IQSC, IQ
Subjects: CRISTALOGRAFIA, DIFRAÇÃO POR RAIOS X, ESTRUTURA MOLECULAR (QUÍMICA TEÓRICA)
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ABNT
ZANIN, Lucas Lima; PORTO, André Luiz Meleiro; JIMENEZ, David Esteban Quintero; et al. Synthesis and X-ray crystal structures of polyfunctionalized 4 H -chromene derivatives via tricomponent reaction with Knoevenagel adducts as intermediates in aqueous medium. Journal of Molecular Structure, Amsterdam, Elsevier BV, v. No 2020, p. 129226-1-129226-10, 2020. Disponível em: < http://dx.doi.org/10.1016/j.molstruc.2020.129226 > DOI: 10.1016/j.molstruc.2020.129226.
APA
Zanin, L. L., Porto, A. L. M., Jimenez, D. E. Q., Jesus, M. P. de, Diniz, L. F., & Ellena, J. (2020). Synthesis and X-ray crystal structures of polyfunctionalized 4 H -chromene derivatives via tricomponent reaction with Knoevenagel adducts as intermediates in aqueous medium. Journal of Molecular Structure, No 2020, 129226-1-129226-10. doi:10.1016/j.molstruc.2020.129226
NLM
Zanin LL, Porto ALM, Jimenez DEQ, Jesus MP de, Diniz LF, Ellena J. Synthesis and X-ray crystal structures of polyfunctionalized 4 H -chromene derivatives via tricomponent reaction with Knoevenagel adducts as intermediates in aqueous medium [Internet]. Journal of Molecular Structure. 2020 ; No 2020 129226-1-129226-10.Available from: http://dx.doi.org/10.1016/j.molstruc.2020.129226
Vancouver
Zanin LL, Porto ALM, Jimenez DEQ, Jesus MP de, Diniz LF, Ellena J. Synthesis and X-ray crystal structures of polyfunctionalized 4 H -chromene derivatives via tricomponent reaction with Knoevenagel adducts as intermediates in aqueous medium [Internet]. Journal of Molecular Structure. 2020 ; No 2020 129226-1-129226-10.Available from: http://dx.doi.org/10.1016/j.molstruc.2020.129226
Artigo de periodico
Crystal structure of a lapacholate complex with Co(II), a potential antibacterial pharmaceutical (2019)
Farfán, R. A.; Espíndola, J. A.; Gómez, M. I.; Audisio, M. C.; Britos, M. L.; Castellano, Eduardo Ernesto; Piro, O. E.
Source: Journal of Molecular Structure. Unidade: IFSC
Subjects: CRISTALOGRAFIA, ESPECTROSCOPIA, STAPHYLOCOCCUS
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
FARFÁN, R. A.; ESPÍNDOLA, J. A.; GÓMEZ, M. I.; et al. Crystal structure of a lapacholate complex with Co(II), a potential antibacterial pharmaceutical. Journal of Molecular Structure, Amsterdam, Elsevier BV, v. 1180, p. 792-797, 2019. Disponível em: < http://dx.doi.org/10.1016/j.molstruc.2018.12.050 > DOI: 10.1016/j.molstruc.2018.12.050.
APA
Farfán, R. A., Espíndola, J. A., Gómez, M. I., Audisio, M. C., Britos, M. L., Castellano, E. E., & Piro, O. E. (2019). Crystal structure of a lapacholate complex with Co(II), a potential antibacterial pharmaceutical. Journal of Molecular Structure, 1180, 792-797. doi:10.1016/j.molstruc.2018.12.050
NLM
Farfán RA, Espíndola JA, Gómez MI, Audisio MC, Britos ML, Castellano EE, Piro OE. Crystal structure of a lapacholate complex with Co(II), a potential antibacterial pharmaceutical [Internet]. Journal of Molecular Structure. 2019 ; 1180 792-797.Available from: http://dx.doi.org/10.1016/j.molstruc.2018.12.050
Vancouver
Farfán RA, Espíndola JA, Gómez MI, Audisio MC, Britos ML, Castellano EE, Piro OE. Crystal structure of a lapacholate complex with Co(II), a potential antibacterial pharmaceutical [Internet]. Journal of Molecular Structure. 2019 ; 1180 792-797.Available from: http://dx.doi.org/10.1016/j.molstruc.2018.12.050
Artigo de periodico
A simple alternative to prodrug: the hydrochloride salt monohydrate of the prostate anticancer drug abiraterone (2019)
Silveira, Rafael G.; Cunha, Beatriz N.; Tenório, Juan C.; Aguiar, Deborah Victória Alves de; Souza, Patricia da Cruz; Vaz, Boiek Gontijo; Ellena, Javier; Batista, Alzir A.; Martins, Felipe Terra
Source: Journal of Molecular Structure. Unidade: IFSC
Subjects: CRISTALOGRAFIA, PLANEJAMENTO DE FÁRMACOS, NEOPLASIAS DOS GENITAIS MASCULINOS
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
SILVEIRA, Rafael G.; CUNHA, Beatriz N.; TENÓRIO, Juan C.; et al. A simple alternative to prodrug: the hydrochloride salt monohydrate of the prostate anticancer drug abiraterone. Journal of Molecular Structure, Amsterdam, Elsevier BV, v. 1190, p. 165-170, 2019. Disponível em: < http://dx.doi.org/10.1016/j.molstruc.2019.04.068 > DOI: 10.1016/j.molstruc.2019.04.068.
APA
Silveira, R. G., Cunha, B. N., Tenório, J. C., Aguiar, D. V. A. de, Souza, P. da C., Vaz, B. G., et al. (2019). A simple alternative to prodrug: the hydrochloride salt monohydrate of the prostate anticancer drug abiraterone. Journal of Molecular Structure, 1190, 165-170. doi:10.1016/j.molstruc.2019.04.068
NLM
Silveira RG, Cunha BN, Tenório JC, Aguiar DVA de, Souza P da C, Vaz BG, Ellena J, Batista AA, Martins FT. A simple alternative to prodrug: the hydrochloride salt monohydrate of the prostate anticancer drug abiraterone [Internet]. Journal of Molecular Structure. 2019 ; 1190 165-170.Available from: http://dx.doi.org/10.1016/j.molstruc.2019.04.068
Vancouver
Silveira RG, Cunha BN, Tenório JC, Aguiar DVA de, Souza P da C, Vaz BG, Ellena J, Batista AA, Martins FT. A simple alternative to prodrug: the hydrochloride salt monohydrate of the prostate anticancer drug abiraterone [Internet]. Journal of Molecular Structure. 2019 ; 1190 165-170.Available from: http://dx.doi.org/10.1016/j.molstruc.2019.04.068

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