References

Elemental Analysis

• Wieser,M. E., Pure Appl. Chem., Vol. 78, No. 11, pp. 2051-2066, 2006; doi
• Audi, G.; Wapstra, A.H., Nuclear Physics A595 vol. 4, pp. 409-480, 1995; doi
• Hill, E. A., J. Am. Chem. Soc., 22(8), pp. 478-494, 1900; doi

IUPAC Naming

• IUPAC Provisional Recommendations for the Nomenclature of Organic Chemistry

Protonation

• Prediction of dissociation constant using microconstants, J. Szegezdi and F. Csizmadia, 27th ACS National Meeting, Anaheim, California, March 28-April 1, 2004
• Calculating pKa values of small and large molecules, J. Szegezdi and F. Csizmadia, American Chemical Society Spring meeting, March 25-29th, 2007
• Dixon, S. L.; Jurs, P. C., J. Comp. Chem., 1993, 14, 12, 1460-1467; doi
• Csizmadia, F.; Tsantili-Kakoulidou, A.; Panderi, I.; Darvas, F., J. Pharm. Sci., 1997, 86, 7, 865-871; doi
• Clark, F. H.; Cahoon, N. M., J. Pharm. Sci., 1987, 76, 8, 611-620

Partitioning

• Viswanadhan, V. N.; Ghose, A. K.; Revankar, G. R. and Robins, R. K., J.Chem.Inf.Comput.Sci., 1989, 29, 3, 163-172; doi
• Klopman, G.; Li, Ju-Yun.; Wang, S.; Dimayuga, M.: J.Chem.Inf.Comput.Sci., 1994, 34, 752; doi
• PhysProp^© database, webpage
• Csizmadia, F.; Tsantili-Kakoulidou, A.; Panderi, I., Darvas, F., J.Pharm.Sci., 1997, 86, 7, 865-871; doi
• Bouchard, G.; Carrupt, P. A.; Testa, B.; Gobry, V. and Girault, H. H., Pharm.Res., 2001, 18, 5, 702-708; doi

Charge

• Miller, K. J.; Savchik, J. A., J. Am. Chem. Soc., 1979, 101, 7206-7213; doi
• Mulliken, R.S., J. Chem. Phys., 1934, 2, 782; doi
• McWeeny, R., Coulson's Valence, Oxford University Press, 1979, ISBN 0198551452
• Dewar, M.J.S., The Molecular Orbital Theory of Organic Chemistry, McGraw-Hill, and Inc., 1969
• Gasteiger, J.; Marsili, M., Tetrahedron, 1980, 36, 3219; doi
• Stewart, R., The Proton: Applications to Organic Chemistry, Academic Press, Inc., 1985, 72, ISBN 0126703701

Isomers

• Smith, M. B.; March, J. Advanced Organic Chemistry, 5th ed., Wiley Interscience, New York, 2001, pp 1218-1223. ISBN 0471585890

Geometry

• Randic,M., Chem. Phys. Lett., 1993, 211, pp 478-483; doi
• Lucic, B., Lukovits, I., Nikolic, S., Trinajstic, N., J. Chem. Inf. Comput. Sci., 2001, 41(3), pp 527-535; doi
• Wiener, H., J. Am. Chem. Soc., 1947, 69(1) pp 17 - 20; doi
• Ferrara, P,. Apostolakis J., Caflisch A., Proteins,2002, 46, 24-33; doi

Other

• Viswanadhan, V. N.; Ghose, A. K.; Revankar, G. R.; Robins, R. K., J. Chem. Inf. Comput. Sci., 1989, 29, 163-172; doi
• Isaacs, N.S., Physical Organic Chemistry, John Wiley & Sons, Inc., New York, 1987, ISBN 0582218632
• Streitwieser, A., Molecular Orbital Theory for Organic Chemists, John Wiley, 1961, ISBN 0471833584.