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  • Source: Journal of Molecular Structure. Unidade: FFCLRP

    Subjects: ETANOL, CATALISADORES, CÉLULAS A COMBUSTÍVEL, OXIDAÇÃO

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      CASTRO, Alexandre Alves de et al. Rationalizing the activity of a hybrid biocatalyst for ethanol oxidation. Journal of Molecular Structure, v. 1268, p. 1-7, 2022Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2022.133682. Acesso em: 15 jun. 2024.
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      Castro, A. A. de, Franco, J. H., Andrade, A. R. de, & Ramalho, T. C. (2022). Rationalizing the activity of a hybrid biocatalyst for ethanol oxidation. Journal of Molecular Structure, 1268, 1-7. doi:10.1016/j.molstruc.2022.133682
    • NLM

      Castro AA de, Franco JH, Andrade AR de, Ramalho TC. Rationalizing the activity of a hybrid biocatalyst for ethanol oxidation [Internet]. Journal of Molecular Structure. 2022 ; 1268 1-7.[citado 2024 jun. 15 ] Available from: https://doi.org/10.1016/j.molstruc.2022.133682
    • Vancouver

      Castro AA de, Franco JH, Andrade AR de, Ramalho TC. Rationalizing the activity of a hybrid biocatalyst for ethanol oxidation [Internet]. Journal of Molecular Structure. 2022 ; 1268 1-7.[citado 2024 jun. 15 ] Available from: https://doi.org/10.1016/j.molstruc.2022.133682
  • Source: Journal of Molecular Structure. Unidades: FFCLRP, FCFRP

    Subjects: ANTICONVULSIVANTES, MUTAGÊNESE, VISÃO COMPUTACIONAL, TOXICOLOGIA CLÍNICA

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      SANTOS, Carlos E. Matos dos et al. A preliminary assessment of pregabalin lactam mutagenicity and remarks on “An investigation of pregabalin lactamization process and effect of various pH on reaction: a computational insight”. Journal of Molecular Structure, v. 1246, p. 1-5, 2021Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2021.131095. Acesso em: 15 jun. 2024.
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      Santos, C. E. M. dos, Paiva, F. C. R. de, Dorta, D. J., & Oliveira, D. P. de. (2021). A preliminary assessment of pregabalin lactam mutagenicity and remarks on “An investigation of pregabalin lactamization process and effect of various pH on reaction: a computational insight”. Journal of Molecular Structure, 1246, 1-5. doi:10.1016/j.molstruc.2021.131095
    • NLM

      Santos CEM dos, Paiva FCR de, Dorta DJ, Oliveira DP de. A preliminary assessment of pregabalin lactam mutagenicity and remarks on “An investigation of pregabalin lactamization process and effect of various pH on reaction: a computational insight” [Internet]. Journal of Molecular Structure. 2021 ; 1246 1-5.[citado 2024 jun. 15 ] Available from: https://doi.org/10.1016/j.molstruc.2021.131095
    • Vancouver

      Santos CEM dos, Paiva FCR de, Dorta DJ, Oliveira DP de. A preliminary assessment of pregabalin lactam mutagenicity and remarks on “An investigation of pregabalin lactamization process and effect of various pH on reaction: a computational insight” [Internet]. Journal of Molecular Structure. 2021 ; 1246 1-5.[citado 2024 jun. 15 ] Available from: https://doi.org/10.1016/j.molstruc.2021.131095
  • Source: Journal of Molecular Structure. Unidade: FFCLRP

    Subjects: CITOCROMO P-450, FLAVONOIDES, ANTIOXIDANTES

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      ZAZERI, Gabriel et al. Experimental studies and computational modeling on cytochrome c reduction by quercetin: the role of oxidability and binding affinity. Journal of Molecular Structure, v. 1244, 2021Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2021.130995. Acesso em: 15 jun. 2024.
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      Zazeri, G., Povinelli, A. P. R., Pavan, N. M., Carvalho, D. R. de, Cardoso, C. L., & Ximenes, V. F. (2021). Experimental studies and computational modeling on cytochrome c reduction by quercetin: the role of oxidability and binding affinity. Journal of Molecular Structure, 1244. doi:10.1016/j.molstruc.2021.130995
    • NLM

      Zazeri G, Povinelli APR, Pavan NM, Carvalho DR de, Cardoso CL, Ximenes VF. Experimental studies and computational modeling on cytochrome c reduction by quercetin: the role of oxidability and binding affinity [Internet]. Journal of Molecular Structure. 2021 ; 1244[citado 2024 jun. 15 ] Available from: https://doi.org/10.1016/j.molstruc.2021.130995
    • Vancouver

      Zazeri G, Povinelli APR, Pavan NM, Carvalho DR de, Cardoso CL, Ximenes VF. Experimental studies and computational modeling on cytochrome c reduction by quercetin: the role of oxidability and binding affinity [Internet]. Journal of Molecular Structure. 2021 ; 1244[citado 2024 jun. 15 ] Available from: https://doi.org/10.1016/j.molstruc.2021.130995
  • Source: Journal of Molecular Structure. Unidade: FFCLRP

    Subjects: COMPOSTOS ORGÂNICOS, IRRADIAÇÃO

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      MARTINS, Danilo Eduardo et al. Recovery of acetophenones from acetophenone hydrazones using ultraviolet radiation and chlorinated solvents: an experimental and theoretical investigation. Journal of Molecular Structure, v. 1201, 2020Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2019.127209. Acesso em: 15 jun. 2024.
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      Martins, D. E., Madeira, R. M., Fernandes, C. S., Galembeck, S. E., Basso, E. A., & Pontes, R. M. (2020). Recovery of acetophenones from acetophenone hydrazones using ultraviolet radiation and chlorinated solvents: an experimental and theoretical investigation. Journal of Molecular Structure, 1201. doi:10.1016/j.molstruc.2019.127209
    • NLM

      Martins DE, Madeira RM, Fernandes CS, Galembeck SE, Basso EA, Pontes RM. Recovery of acetophenones from acetophenone hydrazones using ultraviolet radiation and chlorinated solvents: an experimental and theoretical investigation [Internet]. Journal of Molecular Structure. 2020 ; 1201[citado 2024 jun. 15 ] Available from: https://doi.org/10.1016/j.molstruc.2019.127209
    • Vancouver

      Martins DE, Madeira RM, Fernandes CS, Galembeck SE, Basso EA, Pontes RM. Recovery of acetophenones from acetophenone hydrazones using ultraviolet radiation and chlorinated solvents: an experimental and theoretical investigation [Internet]. Journal of Molecular Structure. 2020 ; 1201[citado 2024 jun. 15 ] Available from: https://doi.org/10.1016/j.molstruc.2019.127209
  • Source: Journal of Molecular Structure. Unidades: FCFRP, FFCLRP

    Subjects: ESTEREOQUÍMICA, RESSONÂNCIA MAGNÉTICA NUCLEAR, QUÍMICA MÉDICA

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      PREVIDI, Daniel et al. Stereochemical assignment of four diastereoisomers of a maculalactone derivative by computational NMR calculations. Journal of Molecular Structure, v. 1178, p. 467-478, 2019Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2018.10.064. Acesso em: 15 jun. 2024.
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      Previdi, D., Nardini, V., Celorio, M. E. R., Palaretti, V., Silva, G. V. J. da, & Donate, P. M. (2019). Stereochemical assignment of four diastereoisomers of a maculalactone derivative by computational NMR calculations. Journal of Molecular Structure, 1178, 467-478. doi:10.1016/j.molstruc.2018.10.064
    • NLM

      Previdi D, Nardini V, Celorio MER, Palaretti V, Silva GVJ da, Donate PM. Stereochemical assignment of four diastereoisomers of a maculalactone derivative by computational NMR calculations [Internet]. Journal of Molecular Structure. 2019 ;1178 467-478.[citado 2024 jun. 15 ] Available from: https://doi.org/10.1016/j.molstruc.2018.10.064
    • Vancouver

      Previdi D, Nardini V, Celorio MER, Palaretti V, Silva GVJ da, Donate PM. Stereochemical assignment of four diastereoisomers of a maculalactone derivative by computational NMR calculations [Internet]. Journal of Molecular Structure. 2019 ;1178 467-478.[citado 2024 jun. 15 ] Available from: https://doi.org/10.1016/j.molstruc.2018.10.064
  • Source: Journal of Molecular Structure. Unidades: FCFRP, FFCLRP

    Subjects: ESTEREOQUÍMICA (DETERMINAÇÃO), IMAGEM POR RESSONÂNCIA MAGNÉTICA, COMPOSTOS ORGÂNICOS

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      RODRIGUES, Shirley Muniz Machado et al. Assignment of NMR data and relative stereochemistry determination of paraconic acid derivatives. Journal of Molecular Structure, v. 1053, p. 100-105, 2013Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2013.09.010. Acesso em: 15 jun. 2024.
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      Rodrigues, S. M. M., Nardini, V., Moral , R. F., Constantino, M. G., & Silva, G. V. J. da. (2013). Assignment of NMR data and relative stereochemistry determination of paraconic acid derivatives. Journal of Molecular Structure, 1053, 100-105. doi:10.1016/j.molstruc.2013.09.010
    • NLM

      Rodrigues SMM, Nardini V, Moral RF, Constantino MG, Silva GVJ da. Assignment of NMR data and relative stereochemistry determination of paraconic acid derivatives [Internet]. Journal of Molecular Structure. 2013 ; 1053 100-105.[citado 2024 jun. 15 ] Available from: https://doi.org/10.1016/j.molstruc.2013.09.010
    • Vancouver

      Rodrigues SMM, Nardini V, Moral RF, Constantino MG, Silva GVJ da. Assignment of NMR data and relative stereochemistry determination of paraconic acid derivatives [Internet]. Journal of Molecular Structure. 2013 ; 1053 100-105.[citado 2024 jun. 15 ] Available from: https://doi.org/10.1016/j.molstruc.2013.09.010
  • Source: Journal of Molecular Structure. Unidades: FFCLRP, FCFRP

    Subjects: ISÔMERO, SOLVENTE (EFEITOS), SÍNTESE QUÍMICA, PRODUTOS NATURAIS

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      RODRIGUES, Shirley Muniz Machado et al. Studies towards rotational dynamics of dimethyl 2-(triphenylphosphoranylidene) succinate by 1H NMR. Journal of Molecular Structure, v. 1051, p. 276-279, 2013Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2013.08.025. Acesso em: 15 jun. 2024.
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      Rodrigues, S. M. M., Palaretti, V., Nardini, V., Constantino, M. G., & Silva, G. V. J. da. (2013). Studies towards rotational dynamics of dimethyl 2-(triphenylphosphoranylidene) succinate by 1H NMR. Journal of Molecular Structure, 1051, 276-279. doi:10.1016/j.molstruc.2013.08.025
    • NLM

      Rodrigues SMM, Palaretti V, Nardini V, Constantino MG, Silva GVJ da. Studies towards rotational dynamics of dimethyl 2-(triphenylphosphoranylidene) succinate by 1H NMR [Internet]. Journal of Molecular Structure. 2013 ; 1051 276-279.[citado 2024 jun. 15 ] Available from: https://doi.org/10.1016/j.molstruc.2013.08.025
    • Vancouver

      Rodrigues SMM, Palaretti V, Nardini V, Constantino MG, Silva GVJ da. Studies towards rotational dynamics of dimethyl 2-(triphenylphosphoranylidene) succinate by 1H NMR [Internet]. Journal of Molecular Structure. 2013 ; 1051 276-279.[citado 2024 jun. 15 ] Available from: https://doi.org/10.1016/j.molstruc.2013.08.025
  • Source: Journal of Molecular Structure. Unidades: FCFRP, FFCLRP

    Subjects: QUÍMICA ORGÂNICA, PRODUTOS NATURAIS, RESSONÂNCIA MAGNÉTICA NUCLEAR (MÉTODOS)

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      SASS, Daiane Cristina et al. Detailed 1H and 13C NMR structural assignment and relative stereochemistry determination for three new and one known semi-synthetic sesquiterpene lactones. Journal of Molecular Structure, v. 1008, p. 24-28, 2012Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2011.11.012. Acesso em: 15 jun. 2024.
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      Sass, D. C., Heleno, V. C. G., Soares, A. C. F., Lopes, J. L. C., & Constantino, M. G. (2012). Detailed 1H and 13C NMR structural assignment and relative stereochemistry determination for three new and one known semi-synthetic sesquiterpene lactones. Journal of Molecular Structure, 1008, 24-28. doi:10.1016/j.molstruc.2011.11.012
    • NLM

      Sass DC, Heleno VCG, Soares ACF, Lopes JLC, Constantino MG. Detailed 1H and 13C NMR structural assignment and relative stereochemistry determination for three new and one known semi-synthetic sesquiterpene lactones [Internet]. Journal of Molecular Structure. 2012 ; 1008 24-28.[citado 2024 jun. 15 ] Available from: https://doi.org/10.1016/j.molstruc.2011.11.012
    • Vancouver

      Sass DC, Heleno VCG, Soares ACF, Lopes JLC, Constantino MG. Detailed 1H and 13C NMR structural assignment and relative stereochemistry determination for three new and one known semi-synthetic sesquiterpene lactones [Internet]. Journal of Molecular Structure. 2012 ; 1008 24-28.[citado 2024 jun. 15 ] Available from: https://doi.org/10.1016/j.molstruc.2011.11.012
  • Source: Journal of Molecular Structure. Unidade: FFCLRP

    Subjects: QUÍMICA (SUBSTITUIÇÃO), MOLÉCULA (ESTRUTURA)

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      ROTTA, Rodrigo et al. Configuration of stilbene derivatives by 1H NMR and theoretical calculation of chemical shifts. Journal of Molecular Structure, v. 975, n. 1-3, p. 59-62, 2010Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2010.03.079. Acesso em: 15 jun. 2024.
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      Rotta, R., Cunha Neto, Á., Lima, D. P. de, Beatriz, A., & Silva, G. V. J. da. (2010). Configuration of stilbene derivatives by 1H NMR and theoretical calculation of chemical shifts. Journal of Molecular Structure, 975( 1-3), 59-62. doi:10.1016/j.molstruc.2010.03.079
    • NLM

      Rotta R, Cunha Neto Á, Lima DP de, Beatriz A, Silva GVJ da. Configuration of stilbene derivatives by 1H NMR and theoretical calculation of chemical shifts [Internet]. Journal of Molecular Structure. 2010 ; 975( 1-3): 59-62.[citado 2024 jun. 15 ] Available from: https://doi.org/10.1016/j.molstruc.2010.03.079
    • Vancouver

      Rotta R, Cunha Neto Á, Lima DP de, Beatriz A, Silva GVJ da. Configuration of stilbene derivatives by 1H NMR and theoretical calculation of chemical shifts [Internet]. Journal of Molecular Structure. 2010 ; 975( 1-3): 59-62.[citado 2024 jun. 15 ] Available from: https://doi.org/10.1016/j.molstruc.2010.03.079
  • Source: Journal of Molecular Structure. Unidade: FFCLRP

    Assunto: ESPECTROSCOPIA

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      LACERDA JÚNIOR, Valdemar et al. NMR and theoretical investigation of the keto-enol tautomerism in cyclohexane-1,3-diones. Journal of Molecular Structure, v. 828, n. 1-3, p. 54-58, 2007Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2006.05.036. Acesso em: 15 jun. 2024.
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      Lacerda Júnior, V., Constantino, M. G., Silva, G. V. J. da, Cunha Neto, Á., & Tormena, C. F. (2007). NMR and theoretical investigation of the keto-enol tautomerism in cyclohexane-1,3-diones. Journal of Molecular Structure, 828( 1-3), 54-58. doi:10.1016/j.molstruc.2006.05.036
    • NLM

      Lacerda Júnior V, Constantino MG, Silva GVJ da, Cunha Neto Á, Tormena CF. NMR and theoretical investigation of the keto-enol tautomerism in cyclohexane-1,3-diones [Internet]. Journal of Molecular Structure. 2007 ; 828( 1-3): 54-58.[citado 2024 jun. 15 ] Available from: https://doi.org/10.1016/j.molstruc.2006.05.036
    • Vancouver

      Lacerda Júnior V, Constantino MG, Silva GVJ da, Cunha Neto Á, Tormena CF. NMR and theoretical investigation of the keto-enol tautomerism in cyclohexane-1,3-diones [Internet]. Journal of Molecular Structure. 2007 ; 828( 1-3): 54-58.[citado 2024 jun. 15 ] Available from: https://doi.org/10.1016/j.molstruc.2006.05.036
  • Source: Journal of Molecular Structure. Unidade: FFCLRP

    Assunto: ESTRUTURA MOLECULAR (QUÍMICA TEÓRICA)

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      SAIRRE, Mirela I. et al. Conformational influence on intramolecular cyclization for a 'beta'-ketoester containing oxirane ring: a theoretical and experimental study. Journal of Molecular Structure, v. 794, n. 1-3, p. 221-224, 2006Tradução . . Disponível em: https://doi.org/10.1016/j.molstruc.2006.02.017. Acesso em: 15 jun. 2024.
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      Sairre, M. I., Bronze-Uhle, E. S., Donate, P. M., & Tormena, C. F. (2006). Conformational influence on intramolecular cyclization for a 'beta'-ketoester containing oxirane ring: a theoretical and experimental study. Journal of Molecular Structure, 794( 1-3), 221-224. doi:10.1016/j.molstruc.2006.02.017
    • NLM

      Sairre MI, Bronze-Uhle ES, Donate PM, Tormena CF. Conformational influence on intramolecular cyclization for a 'beta'-ketoester containing oxirane ring: a theoretical and experimental study [Internet]. Journal of Molecular Structure. 2006 ; 794( 1-3): 221-224.[citado 2024 jun. 15 ] Available from: https://doi.org/10.1016/j.molstruc.2006.02.017
    • Vancouver

      Sairre MI, Bronze-Uhle ES, Donate PM, Tormena CF. Conformational influence on intramolecular cyclization for a 'beta'-ketoester containing oxirane ring: a theoretical and experimental study [Internet]. Journal of Molecular Structure. 2006 ; 794( 1-3): 221-224.[citado 2024 jun. 15 ] Available from: https://doi.org/10.1016/j.molstruc.2006.02.017
  • Source: Journal of Molecular Structure. Unidade: FFCLRP

    Subjects: ÁTOMOS DE HIDROGÊNIO, QUÍMICA QUÂNTICA

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      SILVA, João Bosco P. da et al. An ab initio study of the electronic and vibrational properties of pyrazine..HX..XH..pyrazine..HX hydrogen-bonded complexes(X=F, NC, Cl, CN and CCH). Journal of Molecular Structure, v. 744-747, p. 217-220, 2005Tradução . . Acesso em: 15 jun. 2024.
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      Silva, J. B. P. da, Silva Júnior, M. R., Ramos, M. N., & Galembeck, S. E. (2005). An ab initio study of the electronic and vibrational properties of pyrazine..HX..XH..pyrazine..HX hydrogen-bonded complexes(X=F, NC, Cl, CN and CCH). Journal of Molecular Structure, 744-747, 217-220.
    • NLM

      Silva JBP da, Silva Júnior MR, Ramos MN, Galembeck SE. An ab initio study of the electronic and vibrational properties of pyrazine..HX..XH..pyrazine..HX hydrogen-bonded complexes(X=F, NC, Cl, CN and CCH). Journal of Molecular Structure. 2005 ; 744-747 217-220.[citado 2024 jun. 15 ]
    • Vancouver

      Silva JBP da, Silva Júnior MR, Ramos MN, Galembeck SE. An ab initio study of the electronic and vibrational properties of pyrazine..HX..XH..pyrazine..HX hydrogen-bonded complexes(X=F, NC, Cl, CN and CCH). Journal of Molecular Structure. 2005 ; 744-747 217-220.[citado 2024 jun. 15 ]
  • Source: Journal of Molecular Structure. Unidade: FFCLRP

    Subjects: ESTRUTURA MOLECULAR (QUÍMICA TEÓRICA), SOLUÇÕES ELETROLÍTICAS

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      VIEIRA, Davi Serradella e DEGRÈVE, Léo. Molecular simulation of a concentrated aqueous KCI solution. Journal of Molecular Structure, v. 580, p. 127-135, 2002Tradução . . Disponível em: https://doi.org/10.1016/s0166-1280(01)00607-8. Acesso em: 15 jun. 2024.
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      Vieira, D. S., & Degrève, L. (2002). Molecular simulation of a concentrated aqueous KCI solution. Journal of Molecular Structure, 580, 127-135. doi:10.1016/s0166-1280(01)00607-8
    • NLM

      Vieira DS, Degrève L. Molecular simulation of a concentrated aqueous KCI solution [Internet]. Journal of Molecular Structure. 2002 ; 580 127-135.[citado 2024 jun. 15 ] Available from: https://doi.org/10.1016/s0166-1280(01)00607-8
    • Vancouver

      Vieira DS, Degrève L. Molecular simulation of a concentrated aqueous KCI solution [Internet]. Journal of Molecular Structure. 2002 ; 580 127-135.[citado 2024 jun. 15 ] Available from: https://doi.org/10.1016/s0166-1280(01)00607-8
  • Source: Journal of Molecular Structure. Unidade: FFCLRP

    Assunto: COMPOSTOS CÍCLICOS

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      CONSTANTINO, Maurício Gomes et al. Principal component analysis of long-range 'W' coupling constants of some cyclic compounds. Journal of Molecular Structure, v. 597, p. 129-136, 2001Tradução . . Disponível em: http://probe.usp.br/cgi-bin/sciserv.pl?collection=journals&journal=00222860&issue=v597i1-3&article=129_pcaolccoscc&form=pdf&file=file.pdf. Acesso em: 15 jun. 2024.
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      Constantino, M. G., Lacerda Júnior, V., Silva, G. V. J. da, Tasic, L., & Rittner, R. (2001). Principal component analysis of long-range 'W' coupling constants of some cyclic compounds. Journal of Molecular Structure, 597, 129-136. Recuperado de http://probe.usp.br/cgi-bin/sciserv.pl?collection=journals&journal=00222860&issue=v597i1-3&article=129_pcaolccoscc&form=pdf&file=file.pdf
    • NLM

      Constantino MG, Lacerda Júnior V, Silva GVJ da, Tasic L, Rittner R. Principal component analysis of long-range 'W' coupling constants of some cyclic compounds [Internet]. Journal of Molecular Structure. 2001 ; 597 129-136.[citado 2024 jun. 15 ] Available from: http://probe.usp.br/cgi-bin/sciserv.pl?collection=journals&journal=00222860&issue=v597i1-3&article=129_pcaolccoscc&form=pdf&file=file.pdf
    • Vancouver

      Constantino MG, Lacerda Júnior V, Silva GVJ da, Tasic L, Rittner R. Principal component analysis of long-range 'W' coupling constants of some cyclic compounds [Internet]. Journal of Molecular Structure. 2001 ; 597 129-136.[citado 2024 jun. 15 ] Available from: http://probe.usp.br/cgi-bin/sciserv.pl?collection=journals&journal=00222860&issue=v597i1-3&article=129_pcaolccoscc&form=pdf&file=file.pdf
  • Source: Journal of Molecular Structure. Unidades: FCFRP, FFCLRP

    Assunto: QUÍMICA

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      DEGREVE, L e CALIRI, Antônio. Geometric constraints in polymer chains: analysis on the pearl-necklace model by monte carlo simulation. Journal of Molecular Structure, v. 335, p. 123-7, 1995Tradução . . Disponível em: https://doi.org/10.1016/0166-1280(94)03991-s. Acesso em: 15 jun. 2024.
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      Degreve, L., & Caliri, A. (1995). Geometric constraints in polymer chains: analysis on the pearl-necklace model by monte carlo simulation. Journal of Molecular Structure, 335, 123-7. doi:10.1016/0166-1280(94)03991-s
    • NLM

      Degreve L, Caliri A. Geometric constraints in polymer chains: analysis on the pearl-necklace model by monte carlo simulation [Internet]. Journal of Molecular Structure. 1995 ;335 123-7.[citado 2024 jun. 15 ] Available from: https://doi.org/10.1016/0166-1280(94)03991-s
    • Vancouver

      Degreve L, Caliri A. Geometric constraints in polymer chains: analysis on the pearl-necklace model by monte carlo simulation [Internet]. Journal of Molecular Structure. 1995 ;335 123-7.[citado 2024 jun. 15 ] Available from: https://doi.org/10.1016/0166-1280(94)03991-s

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