M
MV Frash
Researcher at Russian Academy of Sciences
Publications - 8
Citations - 410
MV Frash is an academic researcher from Russian Academy of Sciences. The author has contributed to research in topics: Carbonium ion & Catalysis. The author has an hindex of 8, co-authored 8 publications receiving 398 citations.
Papers
More filters
Journal ArticleDOI
Quantumchemical study of the isobutane cracking on zeolites
TL;DR: In this article, an ab initio quantumchemical investigation of the elementary steps of the catalytic isobutane cracking is presented, and a reasonable agreement between experimental and theoretical activation energies is found.
Journal ArticleDOI
A quantum-chemical study of adsorbed nonclassical carbonium ions as active intermediates in catalytic transformations of paraffins. II. Protolytic dehydrogenation and hydrogen-deuterium hetero-isotope exchange of paraffins on high-silica zeolites
TL;DR: In this article, it was shown that if a hydride ion is split off from the paraffin, then the transition state resembles the adsorbed carbonium ion and the reaction results in molecular hydrogen and in formation of the surface alkoxy group.
Journal ArticleDOI
Cracking of Hydrocarbons on Zeolite Catalysts: Density Functional and Hartree−Fock Calculations on the Mechanism of the β-Scission Reaction
TL;DR: In this paper, the mechanism of the β-scission reaction in zeolites was investigated using density functional theory and Hartree−Fock methods, and the results indicated that the results obtained indicate that the...
Journal ArticleDOI
A quantum-chemical study of adsorbed nonclassical carbonium ions as active intermediates in catalytic transformations of paraffins. I. Protolytic cracking of ethane on high silica zeolites
TL;DR: In this paper, quantum-chemical calculations of protolytic cracking of ethane on Bronsted acid sites of high silica zeolites demonstrated the concerted mechanism of this reaction, which results in formation of methane and adsorption of the methyl group on the surface basic oxygen of the active site.
Journal ArticleDOI
A quantum-chemical study of hydride transfer in catalitic transformations of paraffins on zeolites. Pathways through adsorbed non-classical carbonium ions
TL;DR: In this article, a quantum-chemical investigation of hydride transfer reaction in catalytic transformations of hydrocarbons on zeolites has been performed, and it has been shown that the activated complexes of hydrated carbonium ions very much resemble adsorbed nonclassical carbonium ion, but these transient species are strongly held at the surface active sites by Coulomb interaction.