Filtros : "Braga, Ataualpa Albert Carmo" Limpar

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  • Source: Journal of Molecular Structure. Unidade: IQ

    Subjects: ESPECTROSCOPIA, REAGENTES

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      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.
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      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
  • Source: Dyes and Pigments. Unidades: IQ, FCF

    Subjects: SELÊNIO, PALÁDIO, FLUORESCÊNCIA

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      PAULINO, Antonio Augusto Soares; GIROLDO, Lilian; PRADIE, Noriberto Araújo; et al. Nanomolar detection of palladium (II) through a novel seleno-rhodamine-based fluorescent and colorimetric chemosensor. Dyes and Pigments, Oxford, v. 179, p. 1-10 art. 108355, 2020. Disponível em: < https://doi.org/10.1016/j.dyepig.2020.108355 > DOI: 10.1016/j.dyepig.2020.108355.
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      Paulino, A. A. S., Giroldo, L., Pradie, N. A., Reis, J. S. dos, Back, D. F., Braga, A. A. C., et al. (2020). Nanomolar detection of palladium (II) through a novel seleno-rhodamine-based fluorescent and colorimetric chemosensor. Dyes and Pigments, 179, 1-10 art. 108355. doi:10.1016/j.dyepig.2020.108355
    • NLM

      Paulino AAS, Giroldo L, Pradie NA, Reis JS dos, Back DF, Braga AAC, Stefani HA, Lodeiro C, Santos AA dos. Nanomolar detection of palladium (II) through a novel seleno-rhodamine-based fluorescent and colorimetric chemosensor [Internet]. Dyes and Pigments. 2020 ; 179 1-10 art. 108355.Available from: https://doi.org/10.1016/j.dyepig.2020.108355
    • Vancouver

      Paulino AAS, Giroldo L, Pradie NA, Reis JS dos, Back DF, Braga AAC, Stefani HA, Lodeiro C, Santos AA dos. Nanomolar detection of palladium (II) through a novel seleno-rhodamine-based fluorescent and colorimetric chemosensor [Internet]. Dyes and Pigments. 2020 ; 179 1-10 art. 108355.Available from: https://doi.org/10.1016/j.dyepig.2020.108355
  • Source: Journal of Molecular Structure. Unidade: IQ

    Subjects: DIFRAÇÃO POR RAIOS X, BENZENO, QUÍMICA DE COORDENAÇÃO

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      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.
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      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
  • Source: Journal of Molecular Structure. Unidade: IQ

    Subjects: CALCOGÊNIOS, COMPOSTOS HETEROCÍCLICOS

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      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.
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      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
  • Source: ARKIVOC - Archive for Organic Chemistry. Unidades: IQ, IQSC

    Subjects: QUÍMICA ORGÂNICA, RESSONÂNCIA MAGNÉTICA NUCLEAR

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      OLIVEIRA, Marcelo Tavares de; ALVES, Júlia Maria Aragon; MORAIS, Sara Figueirêdo de Alcântara; BRAGA, Ataualpa Albert Carmo. Prediction of 15N NMR chemical shifts for nitrogenated aromatic compounds. ARKIVOC - Archive for Organic Chemistry, Gainesville, ARKAT USA, Inc, p. 113-122, 2020. Disponível em: < https://doi.org/10.24820/ark.5550190.p011.135 > DOI: 10.24820/ark.5550190.p011.135.
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      Oliveira, M. T. de, Alves, J. M. A., Morais, S. F. de A., & Braga, A. A. C. (2020). Prediction of 15N NMR chemical shifts for nitrogenated aromatic compounds. ARKIVOC - Archive for Organic Chemistry, 113-122. doi:10.24820/ark.5550190.p011.135
    • NLM

      Oliveira MT de, Alves JMA, Morais SF de A, Braga AAC. Prediction of 15N NMR chemical shifts for nitrogenated aromatic compounds [Internet]. ARKIVOC - Archive for Organic Chemistry. 2020 ; 113-122.Available from: https://doi.org/10.24820/ark.5550190.p011.135
    • Vancouver

      Oliveira MT de, Alves JMA, Morais SF de A, Braga AAC. Prediction of 15N NMR chemical shifts for nitrogenated aromatic compounds [Internet]. ARKIVOC - Archive for Organic Chemistry. 2020 ; 113-122.Available from: https://doi.org/10.24820/ark.5550190.p011.135
  • Source: Journal of Molecular Structure. Unidade: IQ

    Subjects: DIFRAÇÃO POR RAIOS X, ANÁLISE DE FOURIER

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      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.
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      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
  • Source: Advanced Synthesis and Catalysis. Unidade: IQ

    Subjects: CATÁLISE ASSIMÉTRICA, REAÇÕES QUÍMICAS, PALÁDIO

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      POLO, Ellen Christine; WANG, Martí Fernández; ANGNES, Ricardo Almir; BRAGA, Ataualpa Albert Carmo; CORREIA, Carlos Roque Duarte. Enantioselective heck arylation of acyclic alkenol aryl ethers: synthetic applications and DFT investigation of the stereoselectivity. Advanced Synthesis and Catalysis, Weinheim, v. 362, p. 884 – 892, 2020. Disponível em: < http://dx.doi.org/10.1002/adsc.201901471 > DOI: 10.1002/adsc.201901471.
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      Polo, E. C., Wang, M. F., Angnes, R. A., Braga, A. A. C., & Correia, C. R. D. (2020). Enantioselective heck arylation of acyclic alkenol aryl ethers: synthetic applications and DFT investigation of the stereoselectivity. Advanced Synthesis and Catalysis, 362, 884 – 892. doi:10.1002/adsc.201901471
    • NLM

      Polo EC, Wang MF, Angnes RA, Braga AAC, Correia CRD. Enantioselective heck arylation of acyclic alkenol aryl ethers: synthetic applications and DFT investigation of the stereoselectivity [Internet]. Advanced Synthesis and Catalysis. 2020 ; 362 884 – 892.Available from: http://dx.doi.org/10.1002/adsc.201901471
    • Vancouver

      Polo EC, Wang MF, Angnes RA, Braga AAC, Correia CRD. Enantioselective heck arylation of acyclic alkenol aryl ethers: synthetic applications and DFT investigation of the stereoselectivity [Internet]. Advanced Synthesis and Catalysis. 2020 ; 362 884 – 892.Available from: http://dx.doi.org/10.1002/adsc.201901471
  • Source: ACS Omega. Unidade: IQ

    Subjects: QUÍMICA QUÂNTICA, CROMO

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      RABIA BASRI,; KHALID, Muhammad; SHAFIQ, Zahid; et al. Exploration of chromone-based thiosemicarbazone derivatives: SC-XRD/DFT, spectral (IR, UV–Vis) characterization, and quantum chemical analysis. ACS Omega, Washington, v. 5, n. 46, p. 30176–30188, 2020. Disponível em: < http://dx.doi.org/10.1021/acsomega.0c04653 > DOI: 10.1021/acsomega.0c04653.
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      Rabia Basri,, Khalid, M., Shafiq, Z., Tahir, M. S., Khan, M. U., Tahir, M. N., et al. (2020). Exploration of chromone-based thiosemicarbazone derivatives: SC-XRD/DFT, spectral (IR, UV–Vis) characterization, and quantum chemical analysis. ACS Omega, 5( 46), 30176–30188. doi:10.1021/acsomega.0c04653
    • NLM

      Rabia Basri, Khalid M, Shafiq Z, Tahir MS, Khan MU, Tahir MN, Naseer MM, Braga AAC. Exploration of chromone-based thiosemicarbazone derivatives: SC-XRD/DFT, spectral (IR, UV–Vis) characterization, and quantum chemical analysis [Internet]. ACS Omega. 2020 ; 5( 46): 30176–30188.Available from: http://dx.doi.org/10.1021/acsomega.0c04653
    • Vancouver

      Rabia Basri, Khalid M, Shafiq Z, Tahir MS, Khan MU, Tahir MN, Naseer MM, Braga AAC. Exploration of chromone-based thiosemicarbazone derivatives: SC-XRD/DFT, spectral (IR, UV–Vis) characterization, and quantum chemical analysis [Internet]. ACS Omega. 2020 ; 5( 46): 30176–30188.Available from: http://dx.doi.org/10.1021/acsomega.0c04653
  • Source: Journal of Raman Spectroscopy. Unidade: IQ

    Subjects: NANOPARTÍCULAS, CARBONO, OURO, ESPECTROSCOPIA RAMAN

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      ROCHA, Júlio César da; MATTIONI, João V; SIHN, Luca Michael; et al. Room temperature synthesis and Raman spectral evidence of carbon bond ranelate–gold nanoparticles. Journal of Raman Spectroscopy, Robokem, v. 51, p. 1083–1091, 2020. Disponível em: < http://dx.doi.org/10.1002/jrs.5872 > DOI: 10.1002/jrs.5872.
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      Rocha, J. C. da, Mattioni, J. V., Sihn, L. M., Shinohara, J. da S., Melo, F. M. de, Franco, M. P., et al. (2020). Room temperature synthesis and Raman spectral evidence of carbon bond ranelate–gold nanoparticles. Journal of Raman Spectroscopy, 51, 1083–1091. doi:10.1002/jrs.5872
    • NLM

      Rocha JC da, Mattioni JV, Sihn LM, Shinohara J da S, Melo FM de, Franco MP, Braga AAC, Toma HE. Room temperature synthesis and Raman spectral evidence of carbon bond ranelate–gold nanoparticles [Internet]. Journal of Raman Spectroscopy. 2020 ; 51 1083–1091.Available from: http://dx.doi.org/10.1002/jrs.5872
    • Vancouver

      Rocha JC da, Mattioni JV, Sihn LM, Shinohara J da S, Melo FM de, Franco MP, Braga AAC, Toma HE. Room temperature synthesis and Raman spectral evidence of carbon bond ranelate–gold nanoparticles [Internet]. Journal of Raman Spectroscopy. 2020 ; 51 1083–1091.Available from: http://dx.doi.org/10.1002/jrs.5872
  • Source: Journal of Molecular Structure. Unidade: IQ

    Subjects: PALÁDIO, RESSONÂNCIA MAGNÉTICA NUCLEAR

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      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.
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      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
  • Source: Journal of Molecular Structure. Unidade: IQ

    Subjects: SULFONAMIDAS, INFECÇÕES BACTERIANAS, ALDEÍDOS

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      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.
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      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
  • Source: ACS Omega. Unidade: IQ

    Subjects: COMPOSTOS ORGÂNICOS, QUÍMICA, COMPOSTOS HETEROCÍCLICOS

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      ALI, Akbar; KHALID, Muhammad; ANWAR, Farooq; et al. An experimental and computational exploration on the electronic, spectroscopic, and reactivity properties of novel halo-functionalized hydrazones. ACS Omega, Washington, v. 5, p. 18907−18918, 2020. Disponível em: < http://dx.doi.org/10.1021/acsomega.0c02128 > DOI: 10.1021/acsomega.0c02128.
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      Ali, A., Khalid, M., Anwar, F., Aabidin, H. Z. -U., Akhtar, M. N., Khan, M. U., et al. (2020). An experimental and computational exploration on the electronic, spectroscopic, and reactivity properties of novel halo-functionalized hydrazones. ACS Omega, 5, 18907−18918. doi:10.1021/acsomega.0c02128
    • NLM

      Ali A, Khalid M, Anwar F, Aabidin HZ-U, Akhtar MN, Khan MU, Braga AAC, Assiri MA, Imran M. An experimental and computational exploration on the electronic, spectroscopic, and reactivity properties of novel halo-functionalized hydrazones [Internet]. ACS Omega. 2020 ; 5 18907−18918.Available from: http://dx.doi.org/10.1021/acsomega.0c02128
    • Vancouver

      Ali A, Khalid M, Anwar F, Aabidin HZ-U, Akhtar MN, Khan MU, Braga AAC, Assiri MA, Imran M. An experimental and computational exploration on the electronic, spectroscopic, and reactivity properties of novel halo-functionalized hydrazones [Internet]. ACS Omega. 2020 ; 5 18907−18918.Available from: http://dx.doi.org/10.1021/acsomega.0c02128
  • Source: Journal of Molecular Structure. Unidade: IQ

    Subjects: SAIS, ÁCIDOS

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      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.
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      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
  • Source: Applied Organometallic Chemistry. Unidade: IQ

    Subjects: SULFONAMIDAS, METAIS

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      SUMRRA, Sajjad H; HASSAN, Abrar U; IMRAN, Muhammad; et al. Synthesis, characterization, and biological screening of metal complexes of novel sulfonamide derivatives: experimental and theoretical analysis of sulfonamide crystal. Applied Organometallic Chemistry, Hoboken, v. 2020, p. 1-19 art. e5623 : + Supplementary materials ( S1-S9), 2020. Disponível em: < http://dx.doi.org/10.1002/aoc.5623 > DOI: 10.1002/aoc.5623.
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      Sumrra, S. H., Hassan, A. U., Imran, M., Khalid, M., Mughal, E. U., Zafar, M. N., et al. (2020). Synthesis, characterization, and biological screening of metal complexes of novel sulfonamide derivatives: experimental and theoretical analysis of sulfonamide crystal. Applied Organometallic Chemistry, 2020, 1-19 art. e5623 : + Supplementary materials ( S1-S9). doi:10.1002/aoc.5623
    • NLM

      Sumrra SH, Hassan AU, Imran M, Khalid M, Mughal EU, Zafar MN, Tahir MN, Raza MA, Braga AAC. Synthesis, characterization, and biological screening of metal complexes of novel sulfonamide derivatives: experimental and theoretical analysis of sulfonamide crystal [Internet]. Applied Organometallic Chemistry. 2020 ; 2020 1-19 art. e5623 : + Supplementary materials ( S1-S9).Available from: http://dx.doi.org/10.1002/aoc.5623
    • Vancouver

      Sumrra SH, Hassan AU, Imran M, Khalid M, Mughal EU, Zafar MN, Tahir MN, Raza MA, Braga AAC. Synthesis, characterization, and biological screening of metal complexes of novel sulfonamide derivatives: experimental and theoretical analysis of sulfonamide crystal [Internet]. Applied Organometallic Chemistry. 2020 ; 2020 1-19 art. e5623 : + Supplementary materials ( S1-S9).Available from: http://dx.doi.org/10.1002/aoc.5623
  • Source: Applied Organometallic Chemistry. Unidade: IQ

    Subjects: PALÁDIO, LIGANTES

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      CHEN, Ming-Tsz; HSIEH, Bing-Yan; LU, Kuo-Hui; et al. N ,N ′-bridged binuclear NHC palladium complexes: A combined experimental catalytic and computational study for the Suzuki reaction. Applied Organometallic Chemistry, Hoboken, p. 1-16 art. e5870, 2020. Disponível em: < https://dx.doi.org/10.1002/aoc.5870 > DOI: 10.1002/aoc.5870.
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      Chen, M. -T., Hsieh, B. -Y., Lu, K. -H., Lussari, N., Braga, A. A. C., & Liu, Y. -H. (2020). N ,N ′-bridged binuclear NHC palladium complexes: A combined experimental catalytic and computational study for the Suzuki reaction. Applied Organometallic Chemistry, 1-16 art. e5870. doi:10.1002/aoc.5870
    • NLM

      Chen M-T, Hsieh B-Y, Lu K-H, Lussari N, Braga AAC, Liu Y-H. N ,N ′-bridged binuclear NHC palladium complexes: A combined experimental catalytic and computational study for the Suzuki reaction [Internet]. Applied Organometallic Chemistry. 2020 ; 1-16 art. e5870.Available from: https://dx.doi.org/10.1002/aoc.5870
    • Vancouver

      Chen M-T, Hsieh B-Y, Lu K-H, Lussari N, Braga AAC, Liu Y-H. N ,N ′-bridged binuclear NHC palladium complexes: A combined experimental catalytic and computational study for the Suzuki reaction [Internet]. Applied Organometallic Chemistry. 2020 ; 1-16 art. e5870.Available from: https://dx.doi.org/10.1002/aoc.5870
  • Source: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. Unidade: IQ

    Subjects: TECNOLOGIA DE MICRO-ONDAS, IRRADIAÇÃO

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      RAZA, Abdul Rauf; NISAR, Bushra; KHALID, Muhammad; et al. A facile microwave assisted synthesis and structure elucidation of (3R)-3-alkyl-4,1-benzoxazepine-2,5-diones by crystallographic, spectroscopic and DFT studies. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Oxford, v. 230, p. 1-15 art. 117995, 2020. Disponível em: < https://dx.doi.org/10.1016/j.saa.2019.117995 > DOI: 10.1016/j.saa.2019.117995.
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      Raza, A. R., Nisar, B., Khalid, M., Gondal, H. Y., Khan, M. U., Morais, S. F. de A., et al. (2020). A facile microwave assisted synthesis and structure elucidation of (3R)-3-alkyl-4,1-benzoxazepine-2,5-diones by crystallographic, spectroscopic and DFT studies. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 230, 1-15 art. 117995. doi:10.1016/j.saa.2019.117995
    • NLM

      Raza AR, Nisar B, Khalid M, Gondal HY, Khan MU, Morais SF de A, Tahir MN, Braga AAC. A facile microwave assisted synthesis and structure elucidation of (3R)-3-alkyl-4,1-benzoxazepine-2,5-diones by crystallographic, spectroscopic and DFT studies [Internet]. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 2020 ; 230 1-15 art. 117995.Available from: https://dx.doi.org/10.1016/j.saa.2019.117995
    • Vancouver

      Raza AR, Nisar B, Khalid M, Gondal HY, Khan MU, Morais SF de A, Tahir MN, Braga AAC. A facile microwave assisted synthesis and structure elucidation of (3R)-3-alkyl-4,1-benzoxazepine-2,5-diones by crystallographic, spectroscopic and DFT studies [Internet]. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 2020 ; 230 1-15 art. 117995.Available from: https://dx.doi.org/10.1016/j.saa.2019.117995
  • Source: Theoretical Chemistry Accounts. Unidade: IQ

    Subjects: CATÁLISE, LIGANTES

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    • ABNT

      SILVA, Vitor Hugo Menezes da; OLIVEIRA, Caio C; CORREIA, Carlos Roque Duarte; BRAGA, Ataualpa Albert Carmo. Heck arylation of acyclic olefins employing arenediazonium salts and chiral N,N ligands: new mechanistic insights from quantum-chemical calculations. Theoretical Chemistry Accounts, New York, v. 139, p. 1-13 art. 77, 2020. Disponível em: < https://dx.doi.org/10.1007/s00214-020-02588-x > DOI: 10.1007/s00214-020-02588-x.
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      Silva, V. H. M. da, Oliveira, C. C., Correia, C. R. D., & Braga, A. A. C. (2020). Heck arylation of acyclic olefins employing arenediazonium salts and chiral N,N ligands: new mechanistic insights from quantum-chemical calculations. Theoretical Chemistry Accounts, 139, 1-13 art. 77. doi:10.1007/s00214-020-02588-x
    • NLM

      Silva VHM da, Oliveira CC, Correia CRD, Braga AAC. Heck arylation of acyclic olefins employing arenediazonium salts and chiral N,N ligands: new mechanistic insights from quantum-chemical calculations [Internet]. Theoretical Chemistry Accounts. 2020 ; 139 1-13 art. 77.Available from: https://dx.doi.org/10.1007/s00214-020-02588-x
    • Vancouver

      Silva VHM da, Oliveira CC, Correia CRD, Braga AAC. Heck arylation of acyclic olefins employing arenediazonium salts and chiral N,N ligands: new mechanistic insights from quantum-chemical calculations [Internet]. Theoretical Chemistry Accounts. 2020 ; 139 1-13 art. 77.Available from: https://dx.doi.org/10.1007/s00214-020-02588-x
  • Source: Sensors & Actuators B. Unidade: IQ

    Subjects: ELETROANÁLISE, AMINAS

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      COUTO, Rosa A. S; RODRIGUES, Cecília M. P; BRAGA, Ataualpa Albert Carmo; et al. Methylone screening with electropolymerized molecularly imprinted polymer on screen-printed electrodes. Sensors & Actuators B, Lausanne, v. 316, p. 1-10 art. 128133, 2020. Disponível em: < http://dx.doi.org/10.1016/j.snb.2020.128133 > DOI: 10.1016/j.snb.2020.128133.
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      Couto, R. A. S., Rodrigues, C. M. P., Braga, A. A. C., Aldous, L., Gonçalves, L. M., Quinaz, M. B., et al. (2020). Methylone screening with electropolymerized molecularly imprinted polymer on screen-printed electrodes. Sensors & Actuators B, 316, 1-10 art. 128133. doi:10.1016/j.snb.2020.128133
    • NLM

      Couto RAS, Rodrigues CMP, Braga AAC, Aldous L, Gonçalves LM, Quinaz MB, Mounssef Junior B, Carvalho F. Methylone screening with electropolymerized molecularly imprinted polymer on screen-printed electrodes [Internet]. Sensors & Actuators B. 2020 ; 316 1-10 art. 128133.Available from: http://dx.doi.org/10.1016/j.snb.2020.128133
    • Vancouver

      Couto RAS, Rodrigues CMP, Braga AAC, Aldous L, Gonçalves LM, Quinaz MB, Mounssef Junior B, Carvalho F. Methylone screening with electropolymerized molecularly imprinted polymer on screen-printed electrodes [Internet]. Sensors & Actuators B. 2020 ; 316 1-10 art. 128133.Available from: http://dx.doi.org/10.1016/j.snb.2020.128133
  • Source: Journal of Molecular Structure. Unidade: IQ

    Subjects: ANTIOXIDANTES, ENZIMAS, SAIS

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      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.
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      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
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      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
  • Source: Journal of Molecular Structure. Unidade: IQ

    Subjects: ANÁLISE ESPECTROSCÓPICA, ALCALOIDES

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      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.
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      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

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