pKalc


BASIC LITERATURE

  • "Dissociation constants of organic acids in aqueous solutions", Kortum, G. Vogel, W. Andrussow K, Butterworths, London (1961)

  • "Dissociation constants of organic bases in aqueous solutions", Perrin, D.D., Butterworths, London (1965)

  • "Dissociation constants of organic bases in aqueous solutions", Perrin, D.D., Supplement, Butterworths, London (1972)

  • "Ionization constants of organic acids in aqueous solutions", Serjeant, E.P., Dempsey, B., Pergamon, Oxford (1979)

  • Clark, J., Perrin, D.D., Quarterly Rev., 18, 295 (1964)

  • Barlin, G.B., Perrin, D.D., Techniques of chemistry, Vol.IV eds. Bentley and Kirby, Wiley, New York

  • "pKa prediction for organic acids and bases", Perrin, D.D.; Dempsey, B.; Serjeant, E.P., Chapman and Hall, London (1981)

  • Bronsted, J.N., Rec. Trav. Chim., 47, 718 (1923)

  • Dewar, M.J.S.; Grisdale, P.J., J.Am.Chem.Soc., 84, 3539 (1962)

  • Perrin, D.D., J.Chem.Soc. 5590 (1965)

  • Longuet-Higgins, H.C., J.Chem.Phys., 18, 265, 275, 283 (1950)

  • "Die Acidität der CH-Säuren", Ebel, H.F., George Thieme Verlag, Stuttgart, (1969)

  • "The chemistry of double bonded functional groups", Charton, M., Ed. Patai S., Supplement A, Part 1. Vol 2, Wiley, pp. 239-298 (1989)

  • Charton, M., Progress in Physical Organic Chemistry, Vol 13, pp. 119-251 (1981)

  • Swain, C.G., Lupton, E.C., J. Am. Chem. Soc., 90, 4328 (1968)

  • Swain, C.G., Unger, S.H., Rosenquist, N.R., Swain, M.S., J.Am.Chem.Soc, 105, 492 (1983)

  • Koike, H., Nippon Kagaku Zassahi, 1962, 83, 917 ,Chem. Abs., 58, 1330 (1963)

  • Longuet-Higgins, H.C., J.Chem.Phys.,18,265,275,283 (1950)

PAPERS QUOTING

  • "Expert System Approach for Predicting pKa in Trends in QSAR and Modeling," Csizmadia F, Szegezdi J, Darvas F, Proceedings of the 9th European Symposium on Structure-Activity Relationships: QSAR and Molecular Modeling, September 7-11, 1992, Strasbourg, France, ed. C.G. Wermuth, ESCOM, Leiden, pp. 507-510 (1993)



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