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

    Assunto: ELÉTRONS

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      MIRANDA, Ely Giancoli Ferreira de e CORNETTA, Lucas Medeiros e VARELLA, Márcio Teixeira do Nascimento. Low-Energy Electron Interactions with Resveratrol and Resorcinol: Anion States and Likely Dissociation Pathways. Journal of Physical Chemistry A, v. 126, p. 7667−7674, 2022Tradução . . Disponível em: https://doi.org/10.1021/acs.jpca.2c05789. Acesso em: 29 jul. 2024.
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      Miranda, E. G. F. de, Cornetta, L. M., & Varella, M. T. do N. (2022). Low-Energy Electron Interactions with Resveratrol and Resorcinol: Anion States and Likely Dissociation Pathways. Journal of Physical Chemistry A, 126, 7667−7674. doi:10.1021/acs.jpca.2c05789
    • NLM

      Miranda EGF de, Cornetta LM, Varella MT do N. Low-Energy Electron Interactions with Resveratrol and Resorcinol: Anion States and Likely Dissociation Pathways [Internet]. Journal of Physical Chemistry A. 2022 ; 126 7667−7674.[citado 2024 jul. 29 ] Available from: https://doi.org/10.1021/acs.jpca.2c05789
    • Vancouver

      Miranda EGF de, Cornetta LM, Varella MT do N. Low-Energy Electron Interactions with Resveratrol and Resorcinol: Anion States and Likely Dissociation Pathways [Internet]. Journal of Physical Chemistry A. 2022 ; 126 7667−7674.[citado 2024 jul. 29 ] Available from: https://doi.org/10.1021/acs.jpca.2c05789
  • Source: Journal of Physical Chemistry A. Unidades: IF, IQ

    Assunto: SOLVATAÇÃO

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      ARAÚJO, Adalberto Vasconcelos Sanches de et al. Solvation Structures and Deactivation Pathways of Luminescent Isothiazole-Derived Nucleobases: tzA, tzG, and tzI. Journal of Physical Chemistry A, v. 124, n. 34, p. 6834−6844, 2020Tradução . . Disponível em: https://doi.org/10.1021/acs.jpca.0c03398. Acesso em: 29 jul. 2024.
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      Araújo, A. V. S. de, Valverde, D., Canuto, S. R. A., & Borin, A. C. (2020). Solvation Structures and Deactivation Pathways of Luminescent Isothiazole-Derived Nucleobases: tzA, tzG, and tzI. Journal of Physical Chemistry A, 124( 34), 6834−6844. doi:10.1021/acs.jpca.0c03398
    • NLM

      Araújo AVS de, Valverde D, Canuto SRA, Borin AC. Solvation Structures and Deactivation Pathways of Luminescent Isothiazole-Derived Nucleobases: tzA, tzG, and tzI [Internet]. Journal of Physical Chemistry A. 2020 ; 124( 34): 6834−6844.[citado 2024 jul. 29 ] Available from: https://doi.org/10.1021/acs.jpca.0c03398
    • Vancouver

      Araújo AVS de, Valverde D, Canuto SRA, Borin AC. Solvation Structures and Deactivation Pathways of Luminescent Isothiazole-Derived Nucleobases: tzA, tzG, and tzI [Internet]. Journal of Physical Chemistry A. 2020 ; 124( 34): 6834−6844.[citado 2024 jul. 29 ] Available from: https://doi.org/10.1021/acs.jpca.0c03398
  • Source: Journal of Physical Chemistry A. Unidade: IF

    Assunto: ESPALHAMENTO

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      KIATAKI, M B et al. Shape Resonances and Elastic Cross Sections in Electron Scatteringby CF3Br and CF3I. Journal of Physical Chemistry A, v. 124, n. 42, 2020Tradução . . Disponível em: https://doi.org/10.1021/acs.jpca.0c07845. Acesso em: 29 jul. 2024.
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      Kiataki, M. B., Varella, M. T. do N., Bettega, M. H. F., & Kossoski, F. (2020). Shape Resonances and Elastic Cross Sections in Electron Scatteringby CF3Br and CF3I. Journal of Physical Chemistry A, 124( 42). doi:10.1021/acs.jpca.0c07845
    • NLM

      Kiataki MB, Varella MT do N, Bettega MHF, Kossoski F. Shape Resonances and Elastic Cross Sections in Electron Scatteringby CF3Br and CF3I [Internet]. Journal of Physical Chemistry A. 2020 ; 124( 42):[citado 2024 jul. 29 ] Available from: https://doi.org/10.1021/acs.jpca.0c07845
    • Vancouver

      Kiataki MB, Varella MT do N, Bettega MHF, Kossoski F. Shape Resonances and Elastic Cross Sections in Electron Scatteringby CF3Br and CF3I [Internet]. Journal of Physical Chemistry A. 2020 ; 124( 42):[citado 2024 jul. 29 ] Available from: https://doi.org/10.1021/acs.jpca.0c07845
  • Source: Journal of Physical Chemistry A. Unidade: IF

    Assunto: ESPECTROMETRIA DE MASSAS

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      MARTINEZ, R et al. Production of hydronium ion (H3O)+ and protonated water clusters (H2O)nH+ after energetic ion bombardment of water ice in astrophysical environments. Journal of Physical Chemistry A, v. 123, p. 8001−8008, 2019Tradução . . Disponível em: https://doi.org/10.1021/acs.jpca.9b05029. Acesso em: 29 jul. 2024.
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      Martinez, R., Agnihotri, A. N., Boduch, P., Domaracka, A., Fulvio, D., Muniz, G. S. V., et al. (2019). Production of hydronium ion (H3O)+ and protonated water clusters (H2O)nH+ after energetic ion bombardment of water ice in astrophysical environments. Journal of Physical Chemistry A, 123, 8001−8008. doi:10.1021/acs.jpca.9b05029
    • NLM

      Martinez R, Agnihotri AN, Boduch P, Domaracka A, Fulvio D, Muniz GSV, Palumbo ME, Rothard H, Strazzulla G. Production of hydronium ion (H3O)+ and protonated water clusters (H2O)nH+ after energetic ion bombardment of water ice in astrophysical environments [Internet]. Journal of Physical Chemistry A. 2019 ; 123 8001−8008.[citado 2024 jul. 29 ] Available from: https://doi.org/10.1021/acs.jpca.9b05029
    • Vancouver

      Martinez R, Agnihotri AN, Boduch P, Domaracka A, Fulvio D, Muniz GSV, Palumbo ME, Rothard H, Strazzulla G. Production of hydronium ion (H3O)+ and protonated water clusters (H2O)nH+ after energetic ion bombardment of water ice in astrophysical environments [Internet]. Journal of Physical Chemistry A. 2019 ; 123 8001−8008.[citado 2024 jul. 29 ] Available from: https://doi.org/10.1021/acs.jpca.9b05029
  • Source: Journal of Physical Chemistry A. Unidade: IF

    Subjects: ELETROSTÁTICA, SILÍCIO

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      CABRAL, Benedito J. Costa e COUTINHO, Kalline Rabelo e CANUTO, Sylvio Roberto Accioly. A first-principles approach to the dynamics and electronic properties of p-nitroaniline in water. Journal of Physical Chemistry A, v. 120, n. ju2016, p. 3878-3887, 2016Tradução . . Disponível em: http://pubs.acs.org/doi/abs/10.1021/acs.jpca.6b01797. Acesso em: 29 jul. 2024.
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      Cabral, B. J. C., Coutinho, K. R., & Canuto, S. R. A. (2016). A first-principles approach to the dynamics and electronic properties of p-nitroaniline in water. Journal of Physical Chemistry A, 120( ju2016), 3878-3887. doi:10.1021/acs.jpca.6b01797
    • NLM

      Cabral BJC, Coutinho KR, Canuto SRA. A first-principles approach to the dynamics and electronic properties of p-nitroaniline in water [Internet]. Journal of Physical Chemistry A. 2016 ; 120( ju2016): 3878-3887.[citado 2024 jul. 29 ] Available from: http://pubs.acs.org/doi/abs/10.1021/acs.jpca.6b01797
    • Vancouver

      Cabral BJC, Coutinho KR, Canuto SRA. A first-principles approach to the dynamics and electronic properties of p-nitroaniline in water [Internet]. Journal of Physical Chemistry A. 2016 ; 120( ju2016): 3878-3887.[citado 2024 jul. 29 ] Available from: http://pubs.acs.org/doi/abs/10.1021/acs.jpca.6b01797
  • Source: Journal of Physical Chemistry A. Unidade: IF

    Subjects: ESTRUTURA ELETRÔNICA, PROTEÍNAS, BIOQUÍMICA

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      FELICIANO, Gustavo Troiano et al. Molecular and electronic structure of the peptide subunit of geobacter sulfurreducens conductive phi from first principles. Journal of Physical Chemistry A, v. 116, n. 30, p. 8023-8030, 2012Tradução . . Disponível em: https://doi.org/10.1021/jp302232p. Acesso em: 29 jul. 2024.
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      Feliciano, G. T., Silva, A. J. R. da, Reguera, G., & Artacho, E. (2012). Molecular and electronic structure of the peptide subunit of geobacter sulfurreducens conductive phi from first principles. Journal of Physical Chemistry A, 116( 30), 8023-8030. doi:10.1021/jp302232p
    • NLM

      Feliciano GT, Silva AJR da, Reguera G, Artacho E. Molecular and electronic structure of the peptide subunit of geobacter sulfurreducens conductive phi from first principles [Internet]. Journal of Physical Chemistry A. 2012 ; 116( 30): 8023-8030.[citado 2024 jul. 29 ] Available from: https://doi.org/10.1021/jp302232p
    • Vancouver

      Feliciano GT, Silva AJR da, Reguera G, Artacho E. Molecular and electronic structure of the peptide subunit of geobacter sulfurreducens conductive phi from first principles [Internet]. Journal of Physical Chemistry A. 2012 ; 116( 30): 8023-8030.[citado 2024 jul. 29 ] Available from: https://doi.org/10.1021/jp302232p
  • Source: Journal of Physical Chemistry A. Unidades: EP, IF

    Subjects: RADIOPROTEÇÃO, FOTOQUÍMICA

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      GARCIA, Joelson Cott et al. Structural, electronic, and vibrational properties of amino-adamantane and rimantadine isomers. Journal of Physical Chemistry A, v. 114 n.44, p. 11977–11983, 2010Tradução . . Disponível em: https://doi.org/10.1021/jp107496b. Acesso em: 29 jul. 2024.
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      Garcia, J. C., Justo Filho, J. F., Machado, W. V. M., & Assali, L. V. C. (2010). Structural, electronic, and vibrational properties of amino-adamantane and rimantadine isomers. Journal of Physical Chemistry A, 114 n.44, 11977–11983. doi:10.1021/jp107496b
    • NLM

      Garcia JC, Justo Filho JF, Machado WVM, Assali LVC. Structural, electronic, and vibrational properties of amino-adamantane and rimantadine isomers [Internet]. Journal of Physical Chemistry A. 2010 ;114 n.44 11977–11983.[citado 2024 jul. 29 ] Available from: https://doi.org/10.1021/jp107496b
    • Vancouver

      Garcia JC, Justo Filho JF, Machado WVM, Assali LVC. Structural, electronic, and vibrational properties of amino-adamantane and rimantadine isomers [Internet]. Journal of Physical Chemistry A. 2010 ;114 n.44 11977–11983.[citado 2024 jul. 29 ] Available from: https://doi.org/10.1021/jp107496b
  • Source: Journal of Physical Chemistry A. Unidade: IF

    Subjects: MECÂNICA QUÂNTICA, MÉTODO DE MONTE CARLO

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      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: 29 jul. 2024.
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      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 jul. 29 ] 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 jul. 29 ] 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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      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: 29 jul. 2024.
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      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 jul. 29 ] 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 jul. 29 ] 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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      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: 29 jul. 2024.
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      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 jul. 29 ] 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 jul. 29 ] 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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      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: 29 jul. 2024.
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      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 jul. 29 ] 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 jul. 29 ] 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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      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: 29 jul. 2024.
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      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 jul. 29 ] 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 jul. 29 ] 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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      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: 29 jul. 2024.
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      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 jul. 29 ] 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 jul. 29 ] Available from: http://pubs.acs.org/journals/jpcafh/article.cgi/jpcafh/2001/105/i50/pdf/jp011966f.pdf
  • Source: Journal of Physical Chemistry A. Unidade: IF

    Assunto: FÍSICO-QUÍMICA

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      JARVIS, Emily A A et al. Characterization of photoionization intermediates via ab initio molecular dynamics. Journal of Physical Chemistry A, v. 104, n. 11, p. 2333-2340, 2000Tradução . . Acesso em: 29 jul. 2024.
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      Jarvis, E. A. A., Fattal, E., Silva, A. J. R. da, & Carter, E. A. (2000). Characterization of photoionization intermediates via ab initio molecular dynamics. Journal of Physical Chemistry A, 104( 11), 2333-2340.
    • NLM

      Jarvis EAA, Fattal E, Silva AJR da, Carter EA. Characterization of photoionization intermediates via ab initio molecular dynamics. Journal of Physical Chemistry A. 2000 ; 104( 11): 2333-2340.[citado 2024 jul. 29 ]
    • Vancouver

      Jarvis EAA, Fattal E, Silva AJR da, Carter EA. Characterization of photoionization intermediates via ab initio molecular dynamics. Journal of Physical Chemistry A. 2000 ; 104( 11): 2333-2340.[citado 2024 jul. 29 ]

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