Theoretical and experimental IR spectra and assignments of 3-aminopyridine

Publication:
Theoretical and experimental IR spectra and assignments of 3-aminopyridine

dc.contributor	Fen Edebiyat Fakültesi / Faculty of Letters and Sciences Fizik / Physics	tr_TR
dc.contributor.author	Büyükmurat, Y.
dc.contributor.author	AKYÜZ, SEVİM
dc.contributor.authorID	10127	tr_TR
dc.date.accessioned	2018-09-03T06:21:42Z
dc.date.available	2018-09-03T06:21:42Z
dc.date.issued	2001-05-28
dc.description.abstract	A normal mode analysis was carried out for 3-aminopyridine using force field refinement method together with ab-initio (4-31G∗) and semiempirical (AM1) quantum chemical calculations. The initial force field parameters of 3-aminopyridine were refined from the corresponding parameters of pyridine molecule. The results indicate a qualitative agreement in normal modes assignments, which are made upon quantum chemical calculations, force field refinement results and one made earlier upon experimental information.	tr_TR
dc.identifier.uri	https://doi.org/10.1016/S0022-2860(00)00801-2
dc.identifier.uri	https://hdl.handle.net/11413/2594
dc.language.iso	en_US	tr_TR
dc.publisher	Elsevier	tr_TR
dc.relation	Journal of Molecular Structure	tr_TR
dc.subject	Aminopyridine	tr_TR
dc.subject	Normal coordinate analysis	tr_TR
dc.subject	Force field	tr_TR
dc.title	Theoretical and experimental IR spectra and assignments of 3-aminopyridine	tr_TR
dc.type	Article	tr_TR
dspace.entity.type	Publication
relation.isAuthorOfPublication	70600e97-ae14-4ca5-b357-0fd647a25331
relation.isAuthorOfPublication.latestForDiscovery	70600e97-ae14-4ca5-b357-0fd647a25331