## Abstract For Abstract see ChemInform Abstract in Full Text.
Quantitative Structure-Property Relationships for the Polarizability, Solvatochromic Parameters and Lipophilicity
✍ Scribed by Schüürmann, Gerrit
- Book ID
- 112185335
- Publisher
- John Wiley and Sons
- Year
- 1990
- Tongue
- English
- Weight
- 618 KB
- Volume
- 9
- Category
- Article
- ISSN
- 1611-020X
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📜 SIMILAR VOLUMES
A previously published empirical charge scheme has been adapted for use in studies of quantitative structureproperty relationships. New parameters have been developed to allow the inclusion of nitrates, nitriles, sulfides, thiols, thiophenes, and sulfoxides. No changes have been made to the original
## Abstract By means of the MNDO, AM1, and PM3 methods, standard heats of formation, entropies, ionization potentials, and molecular dipole moments of the pyridine series compounds have been computed. The information on the experimental values of the above quantities has been systematized. Linear d