Quantum-chemical investigation of the fast intermolecular proton exchange reactions mechanism in paramagnetic systems

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dc.contributor.author Masalimov, A.S.
dc.contributor.author Nikolskiy, S.N.
dc.contributor.author Ralchenko, E.A.
dc.contributor.author Pustolaykina, I. A.
dc.contributor.author Tur, A.A.
dc.date.accessioned 2019-04-02T07:16:32Z
dc.date.available 2019-04-02T07:16:32Z
dc.date.issued 2014-09-30
dc.identifier.citation Quantum-chemical investigation of the fast intermolecular proton exchange reactions mechanism in paramagnetic systems/A.S.Masalimov[a.o.]//Қарағанды универисетінің хабаршысы. Химия Сериясы.=Вестник Карагандинского университета. Серия Химия.=Bulletin of the Karaganda University. Chemistry Series.-2014.-№3(75).-pp.33-38 ru_RU
dc.identifier.issn 0142-0843
dc.identifier.uri http://rep.ksu.kz:80//handle/data/4678
dc.description.abstract For a theoretical interpretation of the fast intermolecular proton exchange (IPE) reaction mechanism by ab initio methods of modern quantum chemistry potential energy surface in the oxymethyl – ammonia acid-base free-radical system was investigated. This system an experimental EPR spectroscopic kinetic data for such reactions in the real liquid phase systems was simulated. The role of short lived intermediates as molecular and ionic complex four-center hydrogen bond due to manage the flow of IPE-fast reactions in the acid-base paramagnetic compounds have been established. ru_RU
dc.language.iso en ru_RU
dc.publisher KSU publ. ru_RU
dc.relation.ispartofseries Chemistry Series;№3(75)
dc.subject semiquinone radicals ru_RU
dc.subject oxymetyl radical ru_RU
dc.subject EPR-spectroscopy ru_RU
dc.subject intermediate ru_RU
dc.subject hydrogen bridge ru_RU
dc.subject protolytic reaction ru_RU
dc.subject proton exchange reaction ru_RU
dc.subject proton transfer proton exchange ru_RU
dc.subject quantum chemical calculations ru_RU
dc.subject ab initio ru_RU
dc.subject potential energy surface ru_RU
dc.title Quantum-chemical investigation of the fast intermolecular proton exchange reactions mechanism in paramagnetic systems ru_RU
dc.type Article ru_RU


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