Structural and electronic properties of heptachlor

dc.contributor.author	Sidir, Y. Gulseven
dc.contributor.author	Sidir, I.
dc.contributor.author	Demiray, F.
dc.date.accessioned	16/12/21 12:07
dc.date.available	16/12/21 12:07
dc.date.issued	2015
dc.identifier.issn	0022-4766
dc.identifier.uri	http://dspace.beu.edu.tr:8080/xmlui/handle/20.500.12643/10522
dc.identifier.uri	https://doi.org/10.1134/S0022476615070070
dc.description.abstract	In this work, the molecular geometry of heptachlor is investigated using ab initio HF, DFT, LDA, and GGA methods. The natural bond orbital (NBO) analysis is performed at the B3LYP/6-311++G(d,p) level of theory. The first order hyperpolarizability beta(tot
dc.language.iso	English
dc.publisher	Pleıades Publıshıng Inc
dc.source	Journal Of Structural Chemıstry
dc.title	Structural and electronic properties of heptachlor
dc.type	Article
dc.identifier.issue	7
dc.identifier.startpage	1275
dc.identifier.endpage	1289
dc.identifier.doi	10.1134/S0022476615070070
dc.identifier.wos	WOS:000369060300007
dc.identifier.volume	56

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