Filtros : "Journal of Physical Chemistry A" "Canuto, Sylvio" Removido: "2021" Limpar

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  • Source: Journal of Physical Chemistry A. Unidade: IF

    Subjects: MECÂNICA QUÂNTICA, MÉTODO DE MONTE CARLO

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    • ABNT

      FONSECA, Tertius Lima et al. Polarization and spectral shift of benzophenone in supercritical water. Journal of Physical Chemistry A, v. 113, n. 17, p. 5112-5118, 2009Tradução . . Disponível em: http://pubs.acs.org/doi/pdfplus/10.1021/jp809694w. Acesso em: 07 out. 2024.
    • APA

      Fonseca, T. L., Georg, H. de C., Coutinho, K. R., & Canuto, S. (2009). Polarization and spectral shift of benzophenone in supercritical water. Journal of Physical Chemistry A, 113( 17), 5112-5118. Recuperado de http://pubs.acs.org/doi/pdfplus/10.1021/jp809694w
    • NLM

      Fonseca TL, Georg H de C, Coutinho KR, Canuto S. Polarization and spectral shift of benzophenone in supercritical water [Internet]. Journal of Physical Chemistry A. 2009 ; 113( 17): 5112-5118.[citado 2024 out. 07 ] Available from: http://pubs.acs.org/doi/pdfplus/10.1021/jp809694w
    • Vancouver

      Fonseca TL, Georg H de C, Coutinho KR, Canuto S. Polarization and spectral shift of benzophenone in supercritical water [Internet]. Journal of Physical Chemistry A. 2009 ; 113( 17): 5112-5118.[citado 2024 out. 07 ] Available from: http://pubs.acs.org/doi/pdfplus/10.1021/jp809694w
  • Source: Journal of Physical Chemistry A. Unidade: IF

    Subjects: FÍSICO-QUÍMICA, MÉTODO DE MONTE CARLO, MÉTODOS MCMC

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    • ABNT

      LIMA, Maria Carolina P et al. Reaction mechanism and tautomeric equilibrium of 2-mercaptopyrimidine in the gas phase and in aqueous solution: a combined Monte Carlo and quantum mechanics study. Journal of Physical Chemistry A, v. 110, n. 22, p. 7253-7261, 2006Tradução . . Disponível em: http://pubs.acs.org/cgi-bin/article.cgi/jpcafh/2006/110/i22/pdf/jp060821b.pdf. Acesso em: 07 out. 2024.
    • APA

      Lima, M. C. P., Coutinho, K. R., Canuto, S., & Rocha, W. R. (2006). Reaction mechanism and tautomeric equilibrium of 2-mercaptopyrimidine in the gas phase and in aqueous solution: a combined Monte Carlo and quantum mechanics study. Journal of Physical Chemistry A, 110( 22), 7253-7261. Recuperado de http://pubs.acs.org/cgi-bin/article.cgi/jpcafh/2006/110/i22/pdf/jp060821b.pdf
    • NLM

      Lima MCP, Coutinho KR, Canuto S, Rocha WR. Reaction mechanism and tautomeric equilibrium of 2-mercaptopyrimidine in the gas phase and in aqueous solution: a combined Monte Carlo and quantum mechanics study [Internet]. Journal of Physical Chemistry A. 2006 ; 110( 22): 7253-7261.[citado 2024 out. 07 ] Available from: http://pubs.acs.org/cgi-bin/article.cgi/jpcafh/2006/110/i22/pdf/jp060821b.pdf
    • Vancouver

      Lima MCP, Coutinho KR, Canuto S, Rocha WR. Reaction mechanism and tautomeric equilibrium of 2-mercaptopyrimidine in the gas phase and in aqueous solution: a combined Monte Carlo and quantum mechanics study [Internet]. Journal of Physical Chemistry A. 2006 ; 110( 22): 7253-7261.[citado 2024 out. 07 ] Available from: http://pubs.acs.org/cgi-bin/article.cgi/jpcafh/2006/110/i22/pdf/jp060821b.pdf
  • Source: Journal of Physical Chemistry A. Unidade: IF

    Subjects: ESTRUTURA ELETRÔNICA, DIFRAÇÃO DA LUZ, ESPECTROSCOPIA DA LUZ, TERMODINÂMICA (FÍSICO-QUÍMICA)

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    • ABNT

      MALASPINA, Thaciana et al. Ab Initio study of the isomeric equilibrium of the HCN .."H IND.2"O and "H IND.2"O.. HCN hydrogen-bonded clusters. Journal of Physical Chemistry A, v. 110, n. 34, p. 10303-10308, 2006Tradução . . Disponível em: http://pubs.acs.org/cgi-bin/article.cgi/jpcafh/2006/110/i34/pdf/jp062780p.pdf. Acesso em: 07 out. 2024.
    • APA

      Malaspina, T., Fileti, E. E., Riveros, J. M., & Canuto, S. (2006). Ab Initio study of the isomeric equilibrium of the HCN .."H IND.2"O and "H IND.2"O.. HCN hydrogen-bonded clusters. Journal of Physical Chemistry A, 110( 34), 10303-10308. Recuperado de http://pubs.acs.org/cgi-bin/article.cgi/jpcafh/2006/110/i34/pdf/jp062780p.pdf
    • NLM

      Malaspina T, Fileti EE, Riveros JM, Canuto S. Ab Initio study of the isomeric equilibrium of the HCN .."H IND.2"O and "H IND.2"O.. HCN hydrogen-bonded clusters [Internet]. Journal of Physical Chemistry A. 2006 ; 110( 34): 10303-10308.[citado 2024 out. 07 ] Available from: http://pubs.acs.org/cgi-bin/article.cgi/jpcafh/2006/110/i34/pdf/jp062780p.pdf
    • Vancouver

      Malaspina T, Fileti EE, Riveros JM, Canuto S. Ab Initio study of the isomeric equilibrium of the HCN .."H IND.2"O and "H IND.2"O.. HCN hydrogen-bonded clusters [Internet]. Journal of Physical Chemistry A. 2006 ; 110( 34): 10303-10308.[citado 2024 out. 07 ] Available from: http://pubs.acs.org/cgi-bin/article.cgi/jpcafh/2006/110/i34/pdf/jp062780p.pdf
  • Source: Journal of Physical Chemistry A. Unidade: IF

    Subjects: FÍSICO-QUÍMICA, MATÉRIA CONDENSADA

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    • ABNT

      RIVELINO, Roberto e CANUTO, Sylvio. Conformational stability of lactonitrile-water complexes: an an initio study. Journal of Physical Chemistry A, 2004Tradução . . Disponível em: http://pubs.acs.org/cgi-bin/article.cgi/jpcafh/2004/108/i09/pdf/jp037177a.pdf. Acesso em: 07 out. 2024.
    • APA

      Rivelino, R., & Canuto, S. (2004). Conformational stability of lactonitrile-water complexes: an an initio study. Journal of Physical Chemistry A. Recuperado de http://pubs.acs.org/cgi-bin/article.cgi/jpcafh/2004/108/i09/pdf/jp037177a.pdf
    • NLM

      Rivelino R, Canuto S. Conformational stability of lactonitrile-water complexes: an an initio study [Internet]. Journal of Physical Chemistry A. 2004 ;[citado 2024 out. 07 ] Available from: http://pubs.acs.org/cgi-bin/article.cgi/jpcafh/2004/108/i09/pdf/jp037177a.pdf
    • Vancouver

      Rivelino R, Canuto S. Conformational stability of lactonitrile-water complexes: an an initio study [Internet]. Journal of Physical Chemistry A. 2004 ;[citado 2024 out. 07 ] Available from: http://pubs.acs.org/cgi-bin/article.cgi/jpcafh/2004/108/i09/pdf/jp037177a.pdf
  • Source: Journal of Physical Chemistry A. Unidade: IF

    Subjects: MÉTODO DE MONTE CARLO, MECÂNICA QUÂNTICA

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    • ABNT

      GUEDES, R C et al. Solvent effects on the energetics of the phenol O-H bond: differential solvation of phenol and phenoxy radical in benzene and acetonitrile. Journal of Physical Chemistry A, v. 107, n. 43, p. 9197-9207, 2003Tradução . . Disponível em: http://pubs.acs.org/cgi-bin/article.cgi/jpcafh/2003/107/i43/pdf/jp035912c.pdf. Acesso em: 07 out. 2024.
    • APA

      Guedes, R. C., Coutinho, K. R., Cabral, B. J. C., Canuto, S., Correia, C. F., Santos, R. M. B. dos, & Simões, J. A. M. (2003). Solvent effects on the energetics of the phenol O-H bond: differential solvation of phenol and phenoxy radical in benzene and acetonitrile. Journal of Physical Chemistry A, 107( 43), 9197-9207. Recuperado de http://pubs.acs.org/cgi-bin/article.cgi/jpcafh/2003/107/i43/pdf/jp035912c.pdf
    • NLM

      Guedes RC, Coutinho KR, Cabral BJC, Canuto S, Correia CF, Santos RMB dos, Simões JAM. Solvent effects on the energetics of the phenol O-H bond: differential solvation of phenol and phenoxy radical in benzene and acetonitrile [Internet]. Journal of Physical Chemistry A. 2003 ; 107( 43): 9197-9207.[citado 2024 out. 07 ] Available from: http://pubs.acs.org/cgi-bin/article.cgi/jpcafh/2003/107/i43/pdf/jp035912c.pdf
    • Vancouver

      Guedes RC, Coutinho KR, Cabral BJC, Canuto S, Correia CF, Santos RMB dos, Simões JAM. Solvent effects on the energetics of the phenol O-H bond: differential solvation of phenol and phenoxy radical in benzene and acetonitrile [Internet]. Journal of Physical Chemistry A. 2003 ; 107( 43): 9197-9207.[citado 2024 out. 07 ] Available from: http://pubs.acs.org/cgi-bin/article.cgi/jpcafh/2003/107/i43/pdf/jp035912c.pdf
  • Source: Journal of Physical Chemistry A. Unidade: IF

    Subjects: ESPECTROSCOPIA DE MICRO-ONDAS, QUÍMICA QUÂNTICA

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    • ABNT

      RIVELINO, Roberto e CANUTO, Sylvio. Theoretical study of mixed hydrogen-bonded complexes ;: 'H IND.2'O..HCN..'H IND.2'O and 'H IND.2'O..HCN..'H IND.2'O. Journal of Physical Chemistry A, v. 105, n. 50, p. 11260-11265, 2001Tradução . . Disponível em: http://pubs.acs.org/journals/jpcafh/article.cgi/jpcafh/2001/105/i50/pdf/jp011966f.pdf. Acesso em: 07 out. 2024.
    • APA

      Rivelino, R., & Canuto, S. (2001). Theoretical study of mixed hydrogen-bonded complexes ;: 'H IND.2'O..HCN..'H IND.2'O and 'H IND.2'O..HCN..'H IND.2'O. Journal of Physical Chemistry A, 105( 50), 11260-11265. Recuperado de http://pubs.acs.org/journals/jpcafh/article.cgi/jpcafh/2001/105/i50/pdf/jp011966f.pdf
    • NLM

      Rivelino R, Canuto S. Theoretical study of mixed hydrogen-bonded complexes ;: 'H IND.2'O..HCN..'H IND.2'O and 'H IND.2'O..HCN..'H IND.2'O [Internet]. Journal of Physical Chemistry A. 2001 ; 105( 50): 11260-11265.[citado 2024 out. 07 ] Available from: http://pubs.acs.org/journals/jpcafh/article.cgi/jpcafh/2001/105/i50/pdf/jp011966f.pdf
    • Vancouver

      Rivelino R, Canuto S. Theoretical study of mixed hydrogen-bonded complexes ;: 'H IND.2'O..HCN..'H IND.2'O and 'H IND.2'O..HCN..'H IND.2'O [Internet]. Journal of Physical Chemistry A. 2001 ; 105( 50): 11260-11265.[citado 2024 out. 07 ] Available from: http://pubs.acs.org/journals/jpcafh/article.cgi/jpcafh/2001/105/i50/pdf/jp011966f.pdf

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