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Theoretical calculation of equilibrium constant for keto-enol tautomerism in cyanuric acid

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Chemistry of Heterocyclic Compounds Aims and scope

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References

  1. N. Kriebizsch, N. V. Degussa-Antwerpen, H. Klenk, and W. H. Degussa, in: W. Gerhartz, Y. S. Yamamoto, L. Kaudy, R. Pfefferkorn, and F. Rounsavaille (editors), Ullmann’s Encyclopedia of Industrial Chemistry, 5th ed., NY: VCH, New York, 1987, vol. 8, p. 191

    Google Scholar 

  2. N. I. Malkina and S. N. Kazarnovskii, Zh. Prikl. Khim., 34, 1583 (1960).

    Google Scholar 

  3. G. Herzberg and C. I. Reid, Disc. Faraday Soc., 9, 92 (1950).

    Article  Google Scholar 

  4. P. G. Maiella and T. B. Brill, Appl. Spectrosc., 50, 829 (1996).

    Article  CAS  Google Scholar 

  5. Gaussian 98 (Revision A.7), M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, Jr., R. E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, P. Y. Ayala, Q. Cui, K. Morokuma, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, J. L. Andres, C. Gonzalez, M. Head-Gordon, E. S. Replogle, J. A. Pople; Gaussian, Pittsburgh, PA, 1998.

  6. A. D. Becke, Phys. Rev., A38, 3098 (1988).

    Google Scholar 

  7. A. D. Becke, J. Chem. Phys., 98, 5648 (1993).

    Article  CAS  Google Scholar 

  8. C. Lee, W. Yang, R. G. Paar, Phys. Rev., B37, 785 (1988).

    Google Scholar 

  9. R. G. Parr, W. Wang, Density-Functional Theory of Atoms and Molecules, Oxford Univ. Press, New York, 1994.

    Google Scholar 

  10. R. Neumann, R. H. Nobes, N. C. Handy, Mol. Phys., 87, 1 (1996).

    Article  CAS  Google Scholar 

  11. C. C. J. Roothaan, Rev. Mod. Phys., 23, 69 (1951).

    Article  CAS  Google Scholar 

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Correspondence to A. Zabardasti.

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Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 10, 1583–1584, October, 2007.

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Zabardasti, A. Theoretical calculation of equilibrium constant for keto-enol tautomerism in cyanuric acid. Chem Heterocycl Comp 43, 1344–1346 (2007). https://doi.org/10.1007/s10593-007-0205-8

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  • DOI: https://doi.org/10.1007/s10593-007-0205-8

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