Modern methods for estimation of ionization constants of organic compounds in solution

The review considers main up-to-date approaches to the calculation of ionization constants of organic compounds in solutions. Methods based on quantum-chemical calculations, continuum solvent models, cluster models, and quantitative structure-property relationships are discussed. The results of calc...

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Veröffentlicht in:	Russian journal of organic chemistry 2011-10, Vol.47 (10), p.1445-1467
Hauptverfasser:	Zevatskii, Yu. E., Samoilov, D. V.
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemistry Chemistry and Materials Science Organic Chemistry Review
Online-Zugang:	Volltext
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