Quantum-chemical calculations of the structure and vibration spectrum of methyl nitrate

dc.contributor.author	Shaikhullina R.
dc.contributor.author	Khrapkovskii G.
dc.contributor.author	Sarvarov F.
dc.date.accessioned	2018-09-18T20:25:55Z
dc.date.available	2018-09-18T20:25:55Z
dc.date.issued	2014
dc.identifier.issn	1757-8981
dc.identifier.uri	https://dspace.kpfu.ru/xmlui/handle/net/139814
dc.description.abstract	© Published under licence by IOP Publishing Ltd. Methyl nitrate vibration spectra theoretical analysis data within the B3LYP density functional theory method in the 6 -31G (d) basis are represented. When optimizing the geometry of the molecule it was found out that methyl nitrate is characterized by one stable conformation: trans-form. Frequency, intensity and forms of normal vibrations are calculated, their comparative analysis with well-known from the literature experimental data is given.
dc.relation.ispartofseries	IOP Conference Series: Materials Science and Engineering
dc.title	Quantum-chemical calculations of the structure and vibration spectrum of methyl nitrate
dc.type	Conference Paper
dc.relation.ispartofseries-issue	1
dc.relation.ispartofseries-volume	69
dc.collection	Публикации сотрудников КФУ
dc.source.id	SCOPUS17578981-2014-69-1-SID84919459086

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Публикации сотрудников КФУ Scopus [24551]
Коллекция содержит публикации сотрудников Казанского федерального (до 2010 года Казанского государственного) университета, проиндексированные в БД Scopus, начиная с 1970г.