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Correlation of Dissociation Constants of 2- and 2,6-Substituted Anilines in Water by Methods Based on the Similarity Principle and Quantum-Chemistry Calculations
Authors: Pytela Oldřich | Otyepka Michal | Kulhánek Jiří | Otyepková Eva | Nevěčná Taťjana
Year: 2003
Type of publication: článek v odborném periodiku
Name of source: Journal of Physical Chemistry A
Publisher name: American Chemical Society
Place: Washington
Page from-to: 11489-11496
Titles:
Language Name Abstract Keywords
cze Korelace disociačních konstant 2- a 2,6-substituovaných anilinů ve vodě metodami založenými na principu podobnosti a kvantově-chemických metodách. Korelace disociačních konstant 2- a 2,6-substituovaných anilinů ve vodě metodami založenými na principu podobnosti a kvantově-chemických metodách. aniliny, kvantově chemické výpočty, korelace, ortho efekt
eng Correlation of Dissociation Constants of 2- and 2,6-Substituted Anilines in Water by Methods Based on the Similarity Principle and Quantum-Chemistry Calculations Dissociation constants of 20 derivates of anilines were determined in water. Quantum chemically calculated properties were corelated with experimental data. anilines;quantum-chemical calculations;correlation;ortho effect