Yazar "Arslan, T" için Fizik Bölümü 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 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 ...