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  • In: Journal of Molecular Structure. Unidade: IQ

    Subjects: Espectroscopia, Reagentes

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      BUENO, Marco A; FRANCO, Maurício Portiolli; BRAGA, Ataualpa Albert Carmo; 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., Franco, M. P., Braga, A. A. C., Di Vitta, C., Marzorati, L., & Moura, R. G. (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, Franco MP, Braga AAC, Di Vitta C, Marzorati L, Moura RG. 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, Franco MP, Braga AAC, Di Vitta C, Marzorati L, Moura RG. 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
  • In: 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
  • In: Theoretical Chemistry Accounts. Unidades: FFCLRP, IQ

    Subjects: Ligantes, Escândio, Compostos Heterocíclicos

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      BATISTA, Ana Paula de Lima; OLIVEIRA FILHO, Antonio Gustavo Sampaio de. Probing N-heterocyclic olefin as ancillary ligand in scandium-mediated CO2 to CO conversion. Theoretical Chemistry Accounts, New York, v. 139, p. 1-8 art. 42, 2020. Disponível em: < https://dx.doi.org/10.1007/s00214-019-2528-9 > DOI: 10.1007/s00214-019-2528-9.
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      Batista, A. P. de L., & Oliveira Filho, A. G. S. de. (2020). Probing N-heterocyclic olefin as ancillary ligand in scandium-mediated CO2 to CO conversion. Theoretical Chemistry Accounts, 139, 1-8 art. 42. doi:10.1007/s00214-019-2528-9
    • NLM

      Batista AP de L, Oliveira Filho AGS de. Probing N-heterocyclic olefin as ancillary ligand in scandium-mediated CO2 to CO conversion [Internet]. Theoretical Chemistry Accounts. 2020 ; 139 1-8 art. 42.Available from: https://dx.doi.org/10.1007/s00214-019-2528-9
    • Vancouver

      Batista AP de L, Oliveira Filho AGS de. Probing N-heterocyclic olefin as ancillary ligand in scandium-mediated CO2 to CO conversion [Internet]. Theoretical Chemistry Accounts. 2020 ; 139 1-8 art. 42.Available from: https://dx.doi.org/10.1007/s00214-019-2528-9
  • In: Journal of Molecular Structure. Unidade: IQ

    Subjects: Análise Espectroscópica, Alcaloides

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      TARIQ, Sobia; KHALID, Muhammad; RAZA, Abdul Rauf; 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., Khalid, M., Raza, A. R., Rubab, S. L., 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, Khalid M, Raza AR, Rubab SL, 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, Khalid M, Raza AR, Rubab SL, 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
  • In: Theoretical Chemistry Accounts. Unidade: IQ

    Subjects: Ligantes, Catálise

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      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
  • In: 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
    • 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
  • In: 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
  • In: Resumos. Conference title: Simpósio Internacional de Iniciação Científica da Universidade de São Paulo - SIICUSP. Unidade: IQ

    Subjects: Paládio, Ligantes

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      MASCARENHAS, Pedro Henrique de Almeida; FRANCO, Maurício Portiolli; BRAGA, Ataualpa Albert Carmo. Estudo computacional do mecanismo de reação da formação de aril alquil éteres catalisada por complexos de paládio. Anais.. São Paulo: Pró-Reitoria de Pesquisa/USP, 2019.Disponível em: .
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      Mascarenhas, P. H. de A., Franco, M. P., & Braga, A. A. C. (2019). Estudo computacional do mecanismo de reação da formação de aril alquil éteres catalisada por complexos de paládio. In Resumos. São Paulo: Pró-Reitoria de Pesquisa/USP. Recuperado de https://uspdigital.usp.br/siicusp/siicPublicacao.jsp?codmnu=7210
    • NLM

      Mascarenhas PH de A, Franco MP, Braga AAC. Estudo computacional do mecanismo de reação da formação de aril alquil éteres catalisada por complexos de paládio [Internet]. Resumos. 2019 ;Available from: https://uspdigital.usp.br/siicusp/siicPublicacao.jsp?codmnu=7210
    • Vancouver

      Mascarenhas PH de A, Franco MP, Braga AAC. Estudo computacional do mecanismo de reação da formação de aril alquil éteres catalisada por complexos de paládio [Internet]. Resumos. 2019 ;Available from: https://uspdigital.usp.br/siicusp/siicPublicacao.jsp?codmnu=7210
  • In: Applied Organometallic Chemistry. Unidade: IQ

    Subjects: Química Quântica, Compostos Orgânicos

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      RAFIQ, Muhammad; KHALID, Muhammad; TAHIR, Muhammad Nawaz; et al. Synthesis, XRD, spectral (IR, UV-Vis, NMR) characterization and quantum chemical exploration of benzoimidazole-based hydrazones: a synergistic experimental-computational analysis. Applied Organometallic Chemistry, Hoboken, v. 33, p. 1-17 art. e5182, 2019. Disponível em: < http://dx.doi.org/10.1002/aoc.5182 > DOI: 10.1002/aoc.5182.
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      Rafiq, M., Khalid, M., Tahir, M. N., Ahmad, M. U., Khan, M. U., Naseer, M. M., et al. (2019). Synthesis, XRD, spectral (IR, UV-Vis, NMR) characterization and quantum chemical exploration of benzoimidazole-based hydrazones: a synergistic experimental-computational analysis. Applied Organometallic Chemistry, 33, 1-17 art. e5182. doi:10.1002/aoc.5182
    • NLM

      Rafiq M, Khalid M, Tahir MN, Ahmad MU, Khan MU, Naseer MM, Braga AAC, Muhammad S, Shafiq Z. Synthesis, XRD, spectral (IR, UV-Vis, NMR) characterization and quantum chemical exploration of benzoimidazole-based hydrazones: a synergistic experimental-computational analysis [Internet]. Applied Organometallic Chemistry. 2019 ; 33 1-17 art. e5182.Available from: http://dx.doi.org/10.1002/aoc.5182
    • Vancouver

      Rafiq M, Khalid M, Tahir MN, Ahmad MU, Khan MU, Naseer MM, Braga AAC, Muhammad S, Shafiq Z. Synthesis, XRD, spectral (IR, UV-Vis, NMR) characterization and quantum chemical exploration of benzoimidazole-based hydrazones: a synergistic experimental-computational analysis [Internet]. Applied Organometallic Chemistry. 2019 ; 33 1-17 art. e5182.Available from: http://dx.doi.org/10.1002/aoc.5182
  • In: Série HPC Spotlight. Unidade: IQ

    Subjects: Ciência

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      BRAGA, Ataualpa Albert Carmo. Construindo a ciência. Série HPC Spotlight[S.l: s.n.], 2019.Disponível em: .
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      Braga, A. A. C. (2019). Construindo a ciência. Série HPC Spotlight. São Paulo. Recuperado de http://www.hpcspotlight.com.br/
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      Braga AAC. Construindo a ciência [Internet]. Série HPC Spotlight. 2019 ;Available from: http://www.hpcspotlight.com.br/
    • Vancouver

      Braga AAC. Construindo a ciência [Internet]. Série HPC Spotlight. 2019 ;Available from: http://www.hpcspotlight.com.br/
  • In: Inorganica Chimica Acta. Unidade: IQ

    Subjects: Orbital Molecular, Espectroscopia

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      JAWARIA, Rifat; HUSSAIN, Mazhar; KHALID, Muhammad; et al. Synthesis, crystal structure analysis, spectral characterization and nonlinear optical exploration of potent thiosemicarbazones based compounds: a DFT refine experimental study. Inorganica Chimica Acta, Lausanne, v. 486, p. 162-171, 2019. Disponível em: < http://dx.doi.org/10.1016/j.ica.2018.10.035 > DOI: 10.1016/j.ica.2018.10.035.
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      Jawaria, R., Hussain, M., Khalid, M., Khan, M. U., Tahir, M. N., Naseer, M. M., et al. (2019). Synthesis, crystal structure analysis, spectral characterization and nonlinear optical exploration of potent thiosemicarbazones based compounds: a DFT refine experimental study. Inorganica Chimica Acta, 486, 162-171. doi:10.1016/j.ica.2018.10.035
    • NLM

      Jawaria R, Hussain M, Khalid M, Khan MU, Tahir MN, Naseer MM, Braga AAC, Shafiq Z. Synthesis, crystal structure analysis, spectral characterization and nonlinear optical exploration of potent thiosemicarbazones based compounds: a DFT refine experimental study [Internet]. Inorganica Chimica Acta. 2019 ; 486 162-171.Available from: http://dx.doi.org/10.1016/j.ica.2018.10.035
    • Vancouver

      Jawaria R, Hussain M, Khalid M, Khan MU, Tahir MN, Naseer MM, Braga AAC, Shafiq Z. Synthesis, crystal structure analysis, spectral characterization and nonlinear optical exploration of potent thiosemicarbazones based compounds: a DFT refine experimental study [Internet]. Inorganica Chimica Acta. 2019 ; 486 162-171.Available from: http://dx.doi.org/10.1016/j.ica.2018.10.035
  • In: Journal of Organometallic Chemistry. Unidade: IQ

    Subjects: Reações Químicas, Síntese Orgânica

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      SILVA, Vitor Hugo Menezes da; MORGON, Nelson H; CORREIA, Carlos R. D; BRAGA, Ataualpa Albert Carmo. DFT perspective on the selectivity and mechanism of ligand-free Heck reaction involving allylic esters and arenediazonium salts. Journal of Organometallic Chemistry, Lausanne, v. 896, p. 5-15, 2019. Disponível em: < http://dx.doi.org/10.1016/j.jorganchem.2019.05.023 > DOI: 10.1016/j.jorganchem.2019.05.023.
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      Silva, V. H. M. da, Morgon, N. H., Correia, C. R. D., & Braga, A. A. C. (2019). DFT perspective on the selectivity and mechanism of ligand-free Heck reaction involving allylic esters and arenediazonium salts. Journal of Organometallic Chemistry, 896, 5-15. doi:10.1016/j.jorganchem.2019.05.023
    • NLM

      Silva VHM da, Morgon NH, Correia CRD, Braga AAC. DFT perspective on the selectivity and mechanism of ligand-free Heck reaction involving allylic esters and arenediazonium salts [Internet]. Journal of Organometallic Chemistry. 2019 ; 896 5-15.Available from: http://dx.doi.org/10.1016/j.jorganchem.2019.05.023
    • Vancouver

      Silva VHM da, Morgon NH, Correia CRD, Braga AAC. DFT perspective on the selectivity and mechanism of ligand-free Heck reaction involving allylic esters and arenediazonium salts [Internet]. Journal of Organometallic Chemistry. 2019 ; 896 5-15.Available from: http://dx.doi.org/10.1016/j.jorganchem.2019.05.023
  • In: New Journal of Chemistry. Unidades: FFCLRP, IQ

    Subjects: Escândio, Ligantes

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      BATISTA, Ana Paula de Lima; OLIVEIRA FILHO, Antonio Gustavo Sampaio de; BRAGA, Ataualpa Albert Carmo. Unveiling the potential of scandium complexes for methane C-H bond activation: a computational study. New Journal of Chemistry, Cambridge, v. 43, p. 12257-12263, 2019. Disponível em: < https://pubs-rsc-org.ez67.periodicos.capes.gov.br/en/content/articlelanding/2019/nj/c9nj02760b#!divAbstract >.
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      Batista, A. P. de L., Oliveira Filho, A. G. S. de, & Braga, A. A. C. (2019). Unveiling the potential of scandium complexes for methane C-H bond activation: a computational study. New Journal of Chemistry, 43, 12257-12263. Recuperado de https://pubs-rsc-org.ez67.periodicos.capes.gov.br/en/content/articlelanding/2019/nj/c9nj02760b#!divAbstract
    • NLM

      Batista AP de L, Oliveira Filho AGS de, Braga AAC. Unveiling the potential of scandium complexes for methane C-H bond activation: a computational study [Internet]. New Journal of Chemistry. 2019 ; 43 12257-12263.Available from: https://pubs-rsc-org.ez67.periodicos.capes.gov.br/en/content/articlelanding/2019/nj/c9nj02760b#!divAbstract
    • Vancouver

      Batista AP de L, Oliveira Filho AGS de, Braga AAC. Unveiling the potential of scandium complexes for methane C-H bond activation: a computational study [Internet]. New Journal of Chemistry. 2019 ; 43 12257-12263.Available from: https://pubs-rsc-org.ez67.periodicos.capes.gov.br/en/content/articlelanding/2019/nj/c9nj02760b#!divAbstract
  • In: Journal of Molecular Structure. Unidade: IQ

    Subjects: Cristalografia Física, Metanol

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      TAHIR, Muhammad Nawaz; MIRZA, Shafaat Hussain; ALI, Akbar; et al. Synthesis, single crystal analysis and DFT based computational studies of 2,4-diamino-5-(4-chlorophenyl)-6-ethylpyrim idin-1-ium 3,4,5- trihydroxybenzoate -methanol (DETM). Journal of Molecular Structure, Amsterdam, v. 1180, p. 119-126, 2019. Disponível em: < http://dx.doi.org/10.1016/j.molstruc.2018.11.089 > DOI: 10.1016/j.molstruc.2018.11.089.
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      Tahir, M. N., Mirza, S. H., Ali, A., Khan, M. U., Braga, A. A. C., & khalid, M. (2019). Synthesis, single crystal analysis and DFT based computational studies of 2,4-diamino-5-(4-chlorophenyl)-6-ethylpyrim idin-1-ium 3,4,5- trihydroxybenzoate -methanol (DETM). Journal of Molecular Structure, 1180, 119-126. doi:10.1016/j.molstruc.2018.11.089
    • NLM

      Tahir MN, Mirza SH, Ali A, Khan MU, Braga AAC, khalid M. Synthesis, single crystal analysis and DFT based computational studies of 2,4-diamino-5-(4-chlorophenyl)-6-ethylpyrim idin-1-ium 3,4,5- trihydroxybenzoate -methanol (DETM) [Internet]. Journal of Molecular Structure. 2019 ; 1180 119-126.Available from: http://dx.doi.org/10.1016/j.molstruc.2018.11.089
    • Vancouver

      Tahir MN, Mirza SH, Ali A, Khan MU, Braga AAC, khalid M. Synthesis, single crystal analysis and DFT based computational studies of 2,4-diamino-5-(4-chlorophenyl)-6-ethylpyrim idin-1-ium 3,4,5- trihydroxybenzoate -methanol (DETM) [Internet]. Journal of Molecular Structure. 2019 ; 1180 119-126.Available from: http://dx.doi.org/10.1016/j.molstruc.2018.11.089
  • In: ChemistrySelect. Unidade: IQ

    Subjects: Medicamento, Osteoporose

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      ROCHA, Júlio César da; SIHN, Luca Michael; UCHIYAMA, Mayara Klimuk; et al. On the amazing reactivity of the ranelate lon: new applications of an old antiosporotic drug. ChemistrySelect, Weinheim, v. 4, p. 13926-13931, 2019. Disponível em: < http://dx.doi.org/10.1002/slct.201904149 > DOI: 10.1002/slct.201904149.
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      Rocha, J. C. da, Sihn, L. M., Uchiyama, M. K., Franco, M. P., Braga, A. A. C., Silveira, A. T., et al. (2019). On the amazing reactivity of the ranelate lon: new applications of an old antiosporotic drug. ChemistrySelect, 4, 13926-13931. doi:10.1002/slct.201904149
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      Rocha JC da, Sihn LM, Uchiyama MK, Franco MP, Braga AAC, Silveira AT, Toma HE, Ribeiro MA. On the amazing reactivity of the ranelate lon: new applications of an old antiosporotic drug [Internet]. ChemistrySelect. 2019 ; 4 13926-13931.Available from: http://dx.doi.org/10.1002/slct.201904149
    • Vancouver

      Rocha JC da, Sihn LM, Uchiyama MK, Franco MP, Braga AAC, Silveira AT, Toma HE, Ribeiro MA. On the amazing reactivity of the ranelate lon: new applications of an old antiosporotic drug [Internet]. ChemistrySelect. 2019 ; 4 13926-13931.Available from: http://dx.doi.org/10.1002/slct.201904149
  • In: Sensors and Actuators B. Unidade: IQ

    Subjects: Eletroquímica, Geometria E Modelagem Computacional, Eletroanálise

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      COUTO, Rosa A. S; COSTA, Séfora S; MOUNSSEF JUNIOR, Bassim; et al. Electrochemical sensing of ecstasy with electropolymerized molecularly imprinted poly(o-phenylenediamine) polymer on the surface of disposable screen-printed carbon electrodes. Sensors and Actuators B, Lausanne, v. 290, n. 1, p. 378-386, 2019. Disponível em: < http://dx.doi.org/10.1016/j.snb.2019.03.138 > DOI: 10.1016/j.snb.2019.03.138.
    • APA

      Couto, R. A. S., Costa, S. S., Mounssef Junior, B., Pacheco, J. G., Fernandes, E., Carvalho, F., et al. (2019). Electrochemical sensing of ecstasy with electropolymerized molecularly imprinted poly(o-phenylenediamine) polymer on the surface of disposable screen-printed carbon electrodes. Sensors and Actuators B, 290( 1), 378-386. doi:10.1016/j.snb.2019.03.138
    • NLM

      Couto RAS, Costa SS, Mounssef Junior B, Pacheco JG, Fernandes E, Carvalho F, Rodrigues CMP, Matos CD, Braga AAC, Gonçalves LM, Quinaz MB. Electrochemical sensing of ecstasy with electropolymerized molecularly imprinted poly(o-phenylenediamine) polymer on the surface of disposable screen-printed carbon electrodes [Internet]. Sensors and Actuators B. 2019 ; 290( 1): 378-386.Available from: http://dx.doi.org/10.1016/j.snb.2019.03.138
    • Vancouver

      Couto RAS, Costa SS, Mounssef Junior B, Pacheco JG, Fernandes E, Carvalho F, Rodrigues CMP, Matos CD, Braga AAC, Gonçalves LM, Quinaz MB. Electrochemical sensing of ecstasy with electropolymerized molecularly imprinted poly(o-phenylenediamine) polymer on the surface of disposable screen-printed carbon electrodes [Internet]. Sensors and Actuators B. 2019 ; 290( 1): 378-386.Available from: http://dx.doi.org/10.1016/j.snb.2019.03.138
  • In: Livro de Resumos. Conference title: Congresso Brasileiro de Catálise/CBCat. Unidade: IQ

    Subjects: Níquel, Reações Químicas

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      LUSSARI, Natália; BRAGA, Ataualpa Albert Carmo. Avanços mecanísticos visando a reação de Heck-Matsuda mediada por complexos de níquel: DFT como uma ferramenta de previsão. Anais.. Rio de Janeiro: Sociedade Brasileira de Catálise/SBCat, 2019.Disponível em: .
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      Lussari, N., & Braga, A. A. C. (2019). Avanços mecanísticos visando a reação de Heck-Matsuda mediada por complexos de níquel: DFT como uma ferramenta de previsão. In Livro de Resumos. Rio de Janeiro: Sociedade Brasileira de Catálise/SBCat. Recuperado de http://portal.sbcat.org/images/documentos/LIVRO_DE_PROGRAMA__20CBCAT_completo.pdf
    • NLM

      Lussari N, Braga AAC. Avanços mecanísticos visando a reação de Heck-Matsuda mediada por complexos de níquel: DFT como uma ferramenta de previsão [Internet]. Livro de Resumos. 2019 ;Available from: http://portal.sbcat.org/images/documentos/LIVRO_DE_PROGRAMA__20CBCAT_completo.pdf
    • Vancouver

      Lussari N, Braga AAC. Avanços mecanísticos visando a reação de Heck-Matsuda mediada por complexos de níquel: DFT como uma ferramenta de previsão [Internet]. Livro de Resumos. 2019 ;Available from: http://portal.sbcat.org/images/documentos/LIVRO_DE_PROGRAMA__20CBCAT_completo.pdf
  • In: Livro de Resumos. Conference title: Congresso Brasileiro de Catálise/CBCat. Unidade: IQ

    Subjects: Catálise, Níquel

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    • ABNT

      ASSAD, Felipe Vieira Zauith; BRAGA, Ataualpa Albert Carmo. Investigação in silico da reação de desoxigenação de éteres catalisada por níquel em meio homogêneo. Anais.. Rio de Janeiro: Sociedade Brasileira de Catálise/SBCat, 2019.Disponível em: .
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      Assad, F. V. Z., & Braga, A. A. C. (2019). Investigação in silico da reação de desoxigenação de éteres catalisada por níquel em meio homogêneo. In Livro de Resumos. Rio de Janeiro: Sociedade Brasileira de Catálise/SBCat. Recuperado de http://portal.sbcat.org/images/documentos/LIVRO_DE_PROGRAMA__20CBCAT_completo.pdf
    • NLM

      Assad FVZ, Braga AAC. Investigação in silico da reação de desoxigenação de éteres catalisada por níquel em meio homogêneo [Internet]. Livro de Resumos. 2019 ;Available from: http://portal.sbcat.org/images/documentos/LIVRO_DE_PROGRAMA__20CBCAT_completo.pdf
    • Vancouver

      Assad FVZ, Braga AAC. Investigação in silico da reação de desoxigenação de éteres catalisada por níquel em meio homogêneo [Internet]. Livro de Resumos. 2019 ;Available from: http://portal.sbcat.org/images/documentos/LIVRO_DE_PROGRAMA__20CBCAT_completo.pdf
  • In: Investigação. Conference title: School of Computational Chemistry Modeling in Supramolecular Chemistry. Unidade: IQ

    Subjects: Catálise, Química Supramolecular

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    • ABNT

      LIMA, Lucas Welington de; BRAGA, Ataualpa Albert Carmo. Computational study of reaction mechanism and confinement effects in C-C coupling reactions catalyzed by zeolites. Investigação[S.l: s.n.], 2019.Disponível em: .
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      Lima, L. W. de, & Braga, A. A. C. (2019). Computational study of reaction mechanism and confinement effects in C-C coupling reactions catalyzed by zeolites. Investigação. Franca. Recuperado de http://3qc.iqm.unicamp.br/eqc/
    • NLM

      Lima LW de, Braga AAC. Computational study of reaction mechanism and confinement effects in C-C coupling reactions catalyzed by zeolites [Internet]. Investigação. 2019 ; 18( p.):Available from: http://3qc.iqm.unicamp.br/eqc/
    • Vancouver

      Lima LW de, Braga AAC. Computational study of reaction mechanism and confinement effects in C-C coupling reactions catalyzed by zeolites [Internet]. Investigação. 2019 ; 18( p.):Available from: http://3qc.iqm.unicamp.br/eqc/
  • In: Investigação. Conference title: School of Computational Chemistry Modeling in Supramolecular Chemistry. Unidade: IQ

    Subjects: Ligantes, Catálise

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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. Investigação[S.l: s.n.], 2019.Disponível em: .
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      Silva, V. H. M. da, Oliveira, C. C., Correia, C. R. D., & Braga, A. A. C. (2019). Heck arylation of acyclic olefins employing arenediazonium salts and chiral N,N ligands: new mechanistic insights from quantum-chemical calculations. Investigação. Franca. Recuperado de http://3qc.iqm.unicamp.br/eqc/
    • 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]. Investigação. 2019 ; 18( p.):Available from: http://3qc.iqm.unicamp.br/eqc/
    • 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]. Investigação. 2019 ; 18( p.):Available from: http://3qc.iqm.unicamp.br/eqc/


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