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

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dc.contributor.authorMasalimov, A.S.
dc.contributor.authorNikolskiy, S.N.
dc.contributor.authorRalchenko, E.A.
dc.contributor.authorPustolaykina, I. A.
dc.contributor.authorTur, A.A.
dc.date.accessioned2019-04-02T07:16:32Z
dc.date.available2019-04-02T07:16:32Z
dc.date.issued2014-09-30
dc.description.abstractFor 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.identifier.citationQuantum-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.33-38ru_RU
dc.identifier.issn0142-0843
dc.identifier.urihttps://rep.buketov.edu.kz:80//handle/data/4678
dc.language.isoenru_RU
dc.publisherKSU publ.ru_RU
dc.relation.ispartofseriesChemistry Series;№3(75)
dc.subjectsemiquinone radicalsru_RU
dc.subjectoxymetyl radicalru_RU
dc.subjectEPR-spectroscopyru_RU
dc.subjectintermediateru_RU
dc.subjecthydrogen bridgeru_RU
dc.subjectprotolytic reactionru_RU
dc.subjectproton exchange reactionru_RU
dc.subjectproton transfer proton exchangeru_RU
dc.subjectquantum chemical calculationsru_RU
dc.subjectab initioru_RU
dc.subjectpotential energy surfaceru_RU
dc.titleQuantum-chemical investigation of the fast intermolecular proton exchange reactions mechanism in paramagnetic systemsru_RU
dc.typeArticleru_RU

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