Yazar "Arslan, T" için listeleme
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An ab initio study on protonation of some substituted thiazole derivatives
Yarlıgan, S; Öğretir, C; Csizmadia, IG; Acikkalp, E; Berber, Halil; Arslan, T (Elsevier Science BV, 2005)The preferred tautomeric forms of some 2-oxothiazole derivatives were predicted using acidity constants calculated by experimental and ab initio methods. Thiazole derivatives were subject to geometry optimization at two ... -
A theoretical approach to acidity-basicity behaviour of some biologically active 6-phenyl-4,5-dihydro-3(2H)-pyridazinone derivatives
Öğretir, Cemil; Yarlıgan, S; Demirayak, Şeref; Arslan, T (Elsevier Science BV, 2003)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 ... -
A theoretical study of substituent effects on tautomerism of 2-hydroxybenzimidazoles
Öğretir, Cemil; Yarlıgan, S; Berber, Halil; Arslan, T; Topal, S (Springer-Verlag, 2003)The geometries, relative stabilities of some 4(7) and 5(6) substituted 2-hydroxybenzimidazole derivatives were calculated with full geometry optimization using AM1 and PM3 in aqueous phase. With the exception of molecules ...
