Atıf İçin Kopyala
Ogretir C., Yarligan S., Demirayak S., Arslan T.
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, cilt.666, ss.609-615, 2003 (SCI-Expanded)
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Yayın Türü:
Makale / Tam Makale
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Cilt numarası:
666
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Basım Tarihi:
2003
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Doi Numarası:
10.1016/j.theochem.2003.08.085
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Dergi Adı:
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
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Derginin Tarandığı İndeksler:
Science Citation Index Expanded (SCI-EXPANDED), Scopus
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Sayfa Sayıları:
ss.609-615
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Anahtar Kelimeler:
semi-empirical calculations, acidity-basicity behaviour, pyridazinones, tautomerism, theoretical calculations, computed and dissociation constants, DISSOCIATION-CONSTANTS
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Anadolu Üniversitesi Adresli:
Hayır
Özet
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.