Copy For Citation
Ogretir C., Yarligan S., Demirayak S., Arslan T.
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, vol.666, pp.609-615, 2003 (SCI-Expanded)
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Publication Type:
Article / Article
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Volume:
666
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Publication Date:
2003
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Doi Number:
10.1016/j.theochem.2003.08.085
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Journal Name:
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
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Journal Indexes:
Science Citation Index Expanded (SCI-EXPANDED), Scopus
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Page Numbers:
pp.609-615
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Keywords:
semi-empirical calculations, acidity-basicity behaviour, pyridazinones, tautomerism, theoretical calculations, computed and dissociation constants, DISSOCIATION-CONSTANTS
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Anadolu University Affiliated:
No
Abstract
The acid dissociation constants, pK(a) values, of 12 biologically active 6-[p- or p- and m-substituted] phenyl-4,5-dihydro-3(2H)-pyridazinone derivatives were computed using semi-empirical methods. Correlations between the experimental and computed acid dissociations constants were found to be satisfactory. (C) 2003 Published by Elsevier B.V.