Quantum chemical studies on tautomerism and basicity behavior of some 1,2,4-triazole derivatives

dc.contributor.author	Ogretir, Cemil
dc.contributor.author	Sidir, Yadigar Gulseven
dc.contributor.author	Sidir, Isa
dc.contributor.author	Tasal, Erol
dc.date.accessioned	16/12/21 12:08
dc.date.available	16/12/21 12:08
dc.date.issued	2010
dc.identifier.issn	1300-0527
dc.identifier.uri	http://dspace.beu.edu.tr:8080/xmlui/handle/20.500.12643/10808
dc.identifier.uri	https://doi.org/10.3906/kim-0904-31
dc.description.abstract	The acidity constants, relative stabilities, and tautomeric equilibrium constants of some 1,2,4-triazole derivatives were determined using the density functional theory (DFT) with the B3LYP method and 6-311G(d,p) basis set. The integral equation formalism
dc.description.sponsorship	Eskisehir Osmangazi UniversityEskisehir Osmangazi University [200819015]
dc.language.iso	English
dc.publisher	Scıentıfıc Technıcal Research Councıl Turkey-Tubıtak
dc.source	Turkısh Journal Of Chemıstry
dc.title	Quantum chemical studies on tautomerism and basicity behavior of some 1,2,4-triazole derivatives
dc.type	Article
dc.identifier.issue	6
dc.identifier.startpage	977
dc.identifier.endpage	988
dc.identifier.doi	10.3906/kim-0904-31
dc.identifier.wos	WOS:000284232900014
dc.identifier.volume	34

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