Filtros : "IQ012" "Silva, Vitor Hugo Menezes da" Removidos: "ENGEN DE ENERGIA E AUTOMAC ELETRICAS" "ENGENHARIA MECANICA" Limpar

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  • Source: Organometallics. Unidade: IQ

    Subjects: COMPOSTOS AROMÁTICOS, LIGANTES, PALÁDIO

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      ESTEVES, Henrique et al. Mechanisms for the oxidative addition of palladium(0) complexes to arenediazonium salts. Organometallics, v. 42, n. 22, p. 3178-3191, 2023Tradução . . Disponível em: https://dx.doi.org/10.1021/acs.organomet.3c00264. Acesso em: 01 jul. 2024.
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      Esteves, H., Silva, V. H. M. da, Correia, C. R. D., & Braga, A. A. C. (2023). Mechanisms for the oxidative addition of palladium(0) complexes to arenediazonium salts. Organometallics, 42( 22), 3178-3191. doi:10.1021/acs.organomet.3c00264
    • NLM

      Esteves H, Silva VHM da, Correia CRD, Braga AAC. Mechanisms for the oxidative addition of palladium(0) complexes to arenediazonium salts [Internet]. Organometallics. 2023 ; 42( 22): 3178-3191.[citado 2024 jul. 01 ] Available from: https://dx.doi.org/10.1021/acs.organomet.3c00264
    • Vancouver

      Esteves H, Silva VHM da, Correia CRD, Braga AAC. Mechanisms for the oxidative addition of palladium(0) complexes to arenediazonium salts [Internet]. Organometallics. 2023 ; 42( 22): 3178-3191.[citado 2024 jul. 01 ] Available from: https://dx.doi.org/10.1021/acs.organomet.3c00264
  • Source: Spectrochimica Acta A. Unidade: IQ

    Assunto: ESPECTROSCOPIA MOLECULAR

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      SILVA, Vitor Hugo Menezes da e ORNELLAS, Fernando Rei. Characterizing structures, energetics, and spectra of species on the (1,3)[H, C, As] potential energy surfaces: a high-level theoretical contribution. Spectrochimica Acta A, v. 226, p. 1-9 art. 117578, 2020Tradução . . Disponível em: https://doi.org/10.1016/j.saa.2019.117578. Acesso em: 01 jul. 2024.
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      Silva, V. H. M. da, & Ornellas, F. R. (2020). Characterizing structures, energetics, and spectra of species on the (1,3)[H, C, As] potential energy surfaces: a high-level theoretical contribution. Spectrochimica Acta A, 226, 1-9 art. 117578. doi:10.1016/j.saa.2019.117578
    • NLM

      Silva VHM da, Ornellas FR. Characterizing structures, energetics, and spectra of species on the (1,3)[H, C, As] potential energy surfaces: a high-level theoretical contribution [Internet]. Spectrochimica Acta A. 2020 ; 226 1-9 art. 117578.[citado 2024 jul. 01 ] Available from: https://doi.org/10.1016/j.saa.2019.117578
    • Vancouver

      Silva VHM da, Ornellas FR. Characterizing structures, energetics, and spectra of species on the (1,3)[H, C, As] potential energy surfaces: a high-level theoretical contribution [Internet]. Spectrochimica Acta A. 2020 ; 226 1-9 art. 117578.[citado 2024 jul. 01 ] Available from: https://doi.org/10.1016/j.saa.2019.117578
  • Source: Theoretical Chemistry Accounts. Unidade: IQ

    Subjects: CATÁLISE, LIGANTES

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      SILVA, Vitor Hugo Menezes da et al. Heck arylation of acyclic olefins employing arenediazonium salts and chiral N,N ligands: new mechanistic insights from quantum-chemical calculations. Theoretical Chemistry Accounts, v. 139, p. 1-13 art. 77, 2020Tradução . . Disponível em: https://doi.org/10.1007/s00214-020-02588-x. Acesso em: 01 jul. 2024.
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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.[citado 2024 jul. 01 ] Available from: https://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.[citado 2024 jul. 01 ] Available from: https://doi.org/10.1007/s00214-020-02588-x
  • Source: Journal of Organometallic Chemistry. Unidade: IQ

    Subjects: REAÇÕES QUÍMICAS, SÍNTESE ORGÂNICA

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      SILVA, Vitor Hugo Menezes da et al. DFT perspective on the selectivity and mechanism of ligand-free Heck reaction involving allylic esters and arenediazonium salts. Journal of Organometallic Chemistry, v. 896, p. 5-15, 2019Tradução . . Disponível em: https://doi.org/10.1016/j.jorganchem.2019.05.023. Acesso em: 01 jul. 2024.
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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.[citado 2024 jul. 01 ] Available from: https://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.[citado 2024 jul. 01 ] Available from: https://doi.org/10.1016/j.jorganchem.2019.05.023
  • Source: Investigação. Conference titles: School of Computational Chemistry Modeling in Supramolecular Chemistry. Unidade: IQ

    Subjects: LIGANTES, CATÁLISE

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      SILVA, Vitor Hugo Menezes da et al. Heck arylation of acyclic olefins employing arenediazonium salts and chiral N,N ligands: new mechanistic insights from quantum-chemical calculations. Investigação. Franca: Instituto de Química, Universidade de São Paulo. Disponível em: http://3qc.iqm.unicamp.br/eqc/. Acesso em: 01 jul. 2024. , 2019
    • APA

      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: Instituto de Química, Universidade de São Paulo. 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.):[citado 2024 jul. 01 ] 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.):[citado 2024 jul. 01 ] Available from: http://3qc.iqm.unicamp.br/eqc/
  • Source: Journal of Computational Chemistry. Unidade: IQ

    Subjects: PALÁDIO, CATÁLISE

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      SILVA, Vitor Hugo Menezes da et al. Theoretical study on selectivity trends in (N-heterocyclic carbene)-Pd catalyzed mizoroki-heck reactions: exploring density functionals methods and molecular models. Journal of Computational Chemistry, v. 38, n. 28, p. 2371-2377, 2017Tradução . . Disponível em: https://doi.org/10.1002/jcc.24867. Acesso em: 01 jul. 2024.
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      Silva, V. H. M. da, Batista, A. P. de L., Navarro, O., & Braga, A. A. C. (2017). Theoretical study on selectivity trends in (N-heterocyclic carbene)-Pd catalyzed mizoroki-heck reactions: exploring density functionals methods and molecular models. Journal of Computational Chemistry, 38( 28), 2371-2377. doi:10.1002/jcc.24867
    • NLM

      Silva VHM da, Batista AP de L, Navarro O, Braga AAC. Theoretical study on selectivity trends in (N-heterocyclic carbene)-Pd catalyzed mizoroki-heck reactions: exploring density functionals methods and molecular models [Internet]. Journal of Computational Chemistry. 2017 ; 38( 28): 2371-2377.[citado 2024 jul. 01 ] Available from: https://doi.org/10.1002/jcc.24867
    • Vancouver

      Silva VHM da, Batista AP de L, Navarro O, Braga AAC. Theoretical study on selectivity trends in (N-heterocyclic carbene)-Pd catalyzed mizoroki-heck reactions: exploring density functionals methods and molecular models [Internet]. Journal of Computational Chemistry. 2017 ; 38( 28): 2371-2377.[citado 2024 jul. 01 ] Available from: https://doi.org/10.1002/jcc.24867
  • Source: Proceedings. Conference titles: World Chemistry Congress. Unidade: IQ

    Subjects: REAÇÕES ORGÂNICAS, PALÁDIO

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      BRAGA, Ataualpa Albert Carmo et al. Conformational preferences on the enantioselective Heck-Matsuda arylation of cyclopent-3-ylmethanol: a DFT study. 2017, Anais.. Durham: International Union of Pure and Applied Chemistry (IUPAC), 2017. Disponível em: http://www.neopixdmi.com.br/@mci/iupac2017/. Acesso em: 01 jul. 2024.
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      Braga, A. A. C., Servilha, B. M., Silva, V. H. M. da, Angnes, R. A., Oliveira, J. M. de, & Correia, C. R. D. (2017). Conformational preferences on the enantioselective Heck-Matsuda arylation of cyclopent-3-ylmethanol: a DFT study. In Proceedings. Durham: International Union of Pure and Applied Chemistry (IUPAC). Recuperado de http://www.neopixdmi.com.br/@mci/iupac2017/
    • NLM

      Braga AAC, Servilha BM, Silva VHM da, Angnes RA, Oliveira JM de, Correia CRD. Conformational preferences on the enantioselective Heck-Matsuda arylation of cyclopent-3-ylmethanol: a DFT study [Internet]. Proceedings. 2017 ;[citado 2024 jul. 01 ] Available from: http://www.neopixdmi.com.br/@mci/iupac2017/
    • Vancouver

      Braga AAC, Servilha BM, Silva VHM da, Angnes RA, Oliveira JM de, Correia CRD. Conformational preferences on the enantioselective Heck-Matsuda arylation of cyclopent-3-ylmethanol: a DFT study [Internet]. Proceedings. 2017 ;[citado 2024 jul. 01 ] Available from: http://www.neopixdmi.com.br/@mci/iupac2017/
  • Source: Proceedings. Conference titles: World Chemistry Congress. Unidade: IQ

    Subjects: SÍNTESE ORGÂNICA, CATÁLISE

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    • ABNT

      SILVA, Vitor Hugo Menezes da et al. DFT elucidation of regio- and enantioselective Heck arylation using acyclic olefins and aryldiazonium salts as substrates. 2017, Anais.. Durham: International Union of Pure and Applied Chemistry (IUPAC), 2017. Disponível em: http://www.neopixdmi.com.br/@mci/iupac2017/. Acesso em: 01 jul. 2024.
    • APA

      Silva, V. H. M. da, Oliveira, C. C. S. de, Correia, C. R. D., & Braga, A. A. C. (2017). DFT elucidation of regio- and enantioselective Heck arylation using acyclic olefins and aryldiazonium salts as substrates. In Proceedings. Durham: International Union of Pure and Applied Chemistry (IUPAC). Recuperado de http://www.neopixdmi.com.br/@mci/iupac2017/
    • NLM

      Silva VHM da, Oliveira CCS de, Correia CRD, Braga AAC. DFT elucidation of regio- and enantioselective Heck arylation using acyclic olefins and aryldiazonium salts as substrates [Internet]. Proceedings. 2017 ;[citado 2024 jul. 01 ] Available from: http://www.neopixdmi.com.br/@mci/iupac2017/
    • Vancouver

      Silva VHM da, Oliveira CCS de, Correia CRD, Braga AAC. DFT elucidation of regio- and enantioselective Heck arylation using acyclic olefins and aryldiazonium salts as substrates [Internet]. Proceedings. 2017 ;[citado 2024 jul. 01 ] Available from: http://www.neopixdmi.com.br/@mci/iupac2017/
  • Source: Abstracts. Conference titles: Tetrahedron Symposium - New Development in Organic Chemistry. Unidades: IQ, FCF

    Subjects: SÍNTESE ORGÂNICA, COMPOSTOS ORGÂNICOS

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      VASCONCELOS, Stanley Nunes Siqueira et al. 3-Alkenyltyrosines accessed by suzukim Miyaura coupling: a key Intermediate in the synthesis and mechanistic study of povarov multicomponent reactions. 2017, Anais.. Budapest: Elsevier, 2017. . Acesso em: 01 jul. 2024.
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      Vasconcelos, S. N. S., Silva, V. H. M. da, Braga, A. A. C., Pimenta, D. C., & Stefani, H. A. (2017). 3-Alkenyltyrosines accessed by suzukim Miyaura coupling: a key Intermediate in the synthesis and mechanistic study of povarov multicomponent reactions. In Abstracts. Budapest: Elsevier.
    • NLM

      Vasconcelos SNS, Silva VHM da, Braga AAC, Pimenta DC, Stefani HA. 3-Alkenyltyrosines accessed by suzukim Miyaura coupling: a key Intermediate in the synthesis and mechanistic study of povarov multicomponent reactions. Abstracts. 2017 ;[citado 2024 jul. 01 ]
    • Vancouver

      Vasconcelos SNS, Silva VHM da, Braga AAC, Pimenta DC, Stefani HA. 3-Alkenyltyrosines accessed by suzukim Miyaura coupling: a key Intermediate in the synthesis and mechanistic study of povarov multicomponent reactions. Abstracts. 2017 ;[citado 2024 jul. 01 ]
  • Source: Journal of Molecular Structure. Unidade: IQ

    Subjects: REAÇÕES QUÍMICAS, SOLVENTE

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      SILVA, Vitor Hugo Menezes da et al. New insights into the electrophilic aromatic substitution mechanism of tricyanovinylation reaction involving tetracyanoethylene and N,N-dimethylaniline: an interpretation based on density functional theory calculations. Journal of Molecular Structure, v. 1142, p. 58–65, 2017Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2017.04.053. Acesso em: 01 jul. 2024.
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      Silva, V. H. M. da, Monezi, N. M., Ando, R. A., & Braga, A. A. C. (2017). New insights into the electrophilic aromatic substitution mechanism of tricyanovinylation reaction involving tetracyanoethylene and N,N-dimethylaniline: an interpretation based on density functional theory calculations. Journal of Molecular Structure, 1142, 58–65. doi:10.1016/j.molstruc.2017.04.053
    • NLM

      Silva VHM da, Monezi NM, Ando RA, Braga AAC. New insights into the electrophilic aromatic substitution mechanism of tricyanovinylation reaction involving tetracyanoethylene and N,N-dimethylaniline: an interpretation based on density functional theory calculations [Internet]. Journal of Molecular Structure. 2017 ; 1142 58–65.[citado 2024 jul. 01 ] Available from: https://doi.org/10.1016/j.molstruc.2017.04.053
    • Vancouver

      Silva VHM da, Monezi NM, Ando RA, Braga AAC. New insights into the electrophilic aromatic substitution mechanism of tricyanovinylation reaction involving tetracyanoethylene and N,N-dimethylaniline: an interpretation based on density functional theory calculations [Internet]. Journal of Molecular Structure. 2017 ; 1142 58–65.[citado 2024 jul. 01 ] Available from: https://doi.org/10.1016/j.molstruc.2017.04.053
  • Source: ChemistrySelect. Unidade: IQ

    Subjects: FÍSICO-QUÍMICA, SOLVENTE

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      SILVA, Vitor Hugo Menezes da e SILVA JUNIOR, Luiz Fernando da e BRAGA, Ataualpa Albert Carmo. Iodine(III)-mediated ring contraction of1,2-Dihydronaphthalenes: mechanistic insight byComputational investigations. ChemistrySelect, v. 1, p. 2706-2711, 2016Tradução . . Disponível em: https://doi.org/10.1002/slct.201600228. Acesso em: 01 jul. 2024.
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      Silva, V. H. M. da, Silva Junior, L. F. da, & Braga, A. A. C. (2016). Iodine(III)-mediated ring contraction of1,2-Dihydronaphthalenes: mechanistic insight byComputational investigations. ChemistrySelect, 1, 2706-2711. doi:10.1002/slct.201600228
    • NLM

      Silva VHM da, Silva Junior LF da, Braga AAC. Iodine(III)-mediated ring contraction of1,2-Dihydronaphthalenes: mechanistic insight byComputational investigations [Internet]. ChemistrySelect. 2016 ; 1 2706-2711.[citado 2024 jul. 01 ] Available from: https://doi.org/10.1002/slct.201600228
    • Vancouver

      Silva VHM da, Silva Junior LF da, Braga AAC. Iodine(III)-mediated ring contraction of1,2-Dihydronaphthalenes: mechanistic insight byComputational investigations [Internet]. ChemistrySelect. 2016 ; 1 2706-2711.[citado 2024 jul. 01 ] Available from: https://doi.org/10.1002/slct.201600228
  • Source: Journal of Organic Chemistry. Unidade: IQ

    Subjects: SOLVENTE, CATÁLISE, REAÇÕES QUÍMICAS

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      SILVA, Juliana de Oliveira et al. Intermolecular noncovalent hydroxy directed enantioselective heck desymmetrization of cyclopentenol: computationally driven synthesis of highly functionalized cis-4-Arylcyclopentenol Scaffolds. Journal of Organic Chemistry, v. 81, n. 5, p. 2010-2018, 2016Tradução . . Disponível em: https://doi.org/10.1021/acs.joc.5b02846. Acesso em: 01 jul. 2024.
    • APA

      Silva, J. de O., Angnes, R. A., Silva, V. H. M. da, Servilha, B. M., Adeel, M., Braga, A. A. C., et al. (2016). Intermolecular noncovalent hydroxy directed enantioselective heck desymmetrization of cyclopentenol: computationally driven synthesis of highly functionalized cis-4-Arylcyclopentenol Scaffolds. Journal of Organic Chemistry, 81( 5), 2010-2018. doi:10.1021/acs.joc.5b02846
    • NLM

      Silva J de O, Angnes RA, Silva VHM da, Servilha BM, Adeel M, Braga AAC, Aponick A, Correia CRD. Intermolecular noncovalent hydroxy directed enantioselective heck desymmetrization of cyclopentenol: computationally driven synthesis of highly functionalized cis-4-Arylcyclopentenol Scaffolds [Internet]. Journal of Organic Chemistry. 2016 ; 81( 5): 2010-2018.[citado 2024 jul. 01 ] Available from: https://doi.org/10.1021/acs.joc.5b02846
    • Vancouver

      Silva J de O, Angnes RA, Silva VHM da, Servilha BM, Adeel M, Braga AAC, Aponick A, Correia CRD. Intermolecular noncovalent hydroxy directed enantioselective heck desymmetrization of cyclopentenol: computationally driven synthesis of highly functionalized cis-4-Arylcyclopentenol Scaffolds [Internet]. Journal of Organic Chemistry. 2016 ; 81( 5): 2010-2018.[citado 2024 jul. 01 ] Available from: https://doi.org/10.1021/acs.joc.5b02846
  • Source: Catalysis Science and Technology. Unidade: IQ

    Subjects: CATÁLISE, QUÍMICA QUÂNTICA

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      ANSELL, Melvyn B et al. An experimental and theoretical study into the facile, homogenous (N-heterocyclic carbene)2- Pd(0) catalyzed diboration of internal and terminal alkynes. Catalysis Science and Technology, p. 1-7, 2016Tradução . . Disponível em: https://doi.org/10.1039/c6cy01266c. Acesso em: 01 jul. 2024.
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      Ansell, M. B., Silva, V. H. M. da, Heerdt, G., Braga, A. A. C., Spencer, J., & Navarro, O. (2016). An experimental and theoretical study into the facile, homogenous (N-heterocyclic carbene)2- Pd(0) catalyzed diboration of internal and terminal alkynes. Catalysis Science and Technology, 1-7. doi:10.1039/c6cy01266c
    • NLM

      Ansell MB, Silva VHM da, Heerdt G, Braga AAC, Spencer J, Navarro O. An experimental and theoretical study into the facile, homogenous (N-heterocyclic carbene)2- Pd(0) catalyzed diboration of internal and terminal alkynes [Internet]. Catalysis Science and Technology. 2016 ; 1-7.[citado 2024 jul. 01 ] Available from: https://doi.org/10.1039/c6cy01266c
    • Vancouver

      Ansell MB, Silva VHM da, Heerdt G, Braga AAC, Spencer J, Navarro O. An experimental and theoretical study into the facile, homogenous (N-heterocyclic carbene)2- Pd(0) catalyzed diboration of internal and terminal alkynes [Internet]. Catalysis Science and Technology. 2016 ; 1-7.[citado 2024 jul. 01 ] Available from: https://doi.org/10.1039/c6cy01266c
  • Source: Organometallics. Unidade: IQ

    Subjects: NÍQUEL, PALÁDIO, COMPOSTOS HETEROCÍCLICOS

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      SILVA, Vitor Hugo Menezes da e BRAGA, Ataualpa Albert Carmo e CUNDARI, Thomas R. N-Heterocyclic carbene based nickel and palladium complexes: a DFT comparison of the Mizoroki-Heck catalytic cycles. Organometallics, v. 35, n. 18, p. 3170-3181, 2016Tradução . . Disponível em: https://doi.org/10.1021/acs.organomet.6b00532. Acesso em: 01 jul. 2024.
    • APA

      Silva, V. H. M. da, Braga, A. A. C., & Cundari, T. R. (2016). N-Heterocyclic carbene based nickel and palladium complexes: a DFT comparison of the Mizoroki-Heck catalytic cycles. Organometallics, 35( 18), 3170-3181. doi:10.1021/acs.organomet.6b00532
    • NLM

      Silva VHM da, Braga AAC, Cundari TR. N-Heterocyclic carbene based nickel and palladium complexes: a DFT comparison of the Mizoroki-Heck catalytic cycles [Internet]. Organometallics. 2016 ; 35( 18): 3170-3181.[citado 2024 jul. 01 ] Available from: https://doi.org/10.1021/acs.organomet.6b00532
    • Vancouver

      Silva VHM da, Braga AAC, Cundari TR. N-Heterocyclic carbene based nickel and palladium complexes: a DFT comparison of the Mizoroki-Heck catalytic cycles [Internet]. Organometallics. 2016 ; 35( 18): 3170-3181.[citado 2024 jul. 01 ] Available from: https://doi.org/10.1021/acs.organomet.6b00532

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