Dynamic intramolecular rearrangements with proton transfer in methanimine oxide

dc.contributor.author	Aminova R.
dc.contributor.author	Ermakova E.
dc.date.accessioned	2018-09-17T21:27:52Z
dc.date.available	2018-09-17T21:27:52Z
dc.date.issued	2004
dc.identifier.issn	1070-4280
dc.identifier.uri	https://dspace.kpfu.ru/xmlui/handle/net/135030
dc.description.abstract	The structures of possible intermediates and transition states on the potential energy surface for the isomerization of methanimine oxide into formamide were determined by UHF/6-311G(3d) quantum-chemical calculations. Two possible reaction channels were revealed. The same processes were studied by the direct molecular mechanics method which also revealed two reaction channels. The time range of the examined dynamic processes was estimated at 90-300 fs.
dc.relation.ispartofseries	Russian Journal of Organic Chemistry
dc.title	Dynamic intramolecular rearrangements with proton transfer in methanimine oxide
dc.type	Article
dc.relation.ispartofseries-issue	6
dc.relation.ispartofseries-volume	40
dc.collection	Публикации сотрудников КФУ
dc.relation.startpage	837
dc.source.id	SCOPUS10704280-2004-40-6-SID6344288684

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Публикации сотрудников КФУ Scopus [24551]
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