Výsledky vyhledávání - "Asia R. Gabitova"

DFT study of homolytic scission of C–H bonds of alkanes and propylene glycol dehydrogenation reactions on Fe4O7, NiFe3O7 clusters and their protonated and hydroxylated forms

Autor: Alexandre I. Kourdioukov, Vener F. Khayrutdinov, Z. I. Zaripov, A. U. Aetov, Farid M. Gumerov, Asia R. Gabitova

Publikováno v: Butlerov Communications. 64:119-135

The results of a DFT study of elementary acts, both catalytic transformations of alkanes on hydride-hydroxyl forms of Fe4O7 and NiFe3O7 clusters, and processes of hydrocarbons transformation on iron and nickel-oxide clusters without initially hydride

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::a45d9434ab5d9c5d11a312fb64ab47f0
https://doi.org/10.37952/roi-jbc-01/20-64-10-119

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DFT study of elementary acts of supercritical water oxidation by the example of the catalytic reaction of radical water dissociation with the participation of model cluster Fe4O6

Autor: Farid M. Gumerov, Aynur F. Mingaliev, A. U. Aetov, Alexandre I. Kourdioukov, Vladimir G. Uryadov, Z. I. Zaripov, Evgeny N. Ofitserov, Asia R. Gabitova

Publikováno v: Butlerov Communications. 63:133-147

This report details aspects of the reactivity of the products of catalytic dissociation of water as applied to the description of the nature of supercritical water oxidation and other oxidative SCF processes in general. It has been shown quantum chem

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::1a52716973142e83c78ae8b6859e1ee3
https://doi.org/10.37952/roi-jbc-01/20-63-7-133

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DFT study of triplet and singlet elementary acts of acyclic and cyclic alkanes oxidation initiated by primary interaction with 3O2

Autor: Farid M. Gumerov, Ilfat Z. Salikhov, Vener F. Khayrutdinov, Asia R. Gabitova, Aynur F. Mingaliev, Vladimir G. Uryadov, Alexandre I. Kourdioukov, Evgeny N. Ofitserov, Alexey V. Trofimov

Publikováno v: Butlerov Communications. 60:114-127

The primary oxidation stages of 3O2 model acyclic and cyclic alkanes and their subsequent triplet and singlet elementary events were studied for the first time by the DFT method with the density functional B3LYP and basis set 6-311++g(df,p). Accordin

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::99b76110d55b70d6cdde9f1e5e1b9234
https://doi.org/10.37952/roi-jbc-01/19-60-11-114

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