Timofei Privalov

6PUBLICATIONS
1CO-AUTHORS
EcohydrologyChemical thermodynamics and energeticsPhotonics, optoelectronics and optical communicationsRadiation and matter
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Publications (6)

|Sep 01, 2018
Water and a Borohydride/Hydronium Intermediate in the Borane-Catalyzed Hydrogenation of Carbonyl Compounds with H2 in Wet Ether: A Computational Study.

Mojgan Heshmat, Timofei Privalov

|Aug 15, 2018
H2 Cleavage by Frustrated Lewis Pairs Characterized by the Energy Decomposition Analysis of Transition States: An Alternative to the Electron Transfer and Electric Field Models.

Mojgan Heshmat, Timofei Privalov

|May 30, 2018
Structurally Flexible Oxocarbenium/Borohydride Ion Pair: Dynamics of Hydride Transfer on the Background of Conformational Roaming.

Mojgan Heshmat, Timofei Privalov

|Mar 29, 2018
Surprisingly Flexible Oxonium/Borohydride Ion Pair Configurations.

Mojgan Heshmat, Timofei Privalov

|Oct 06, 2017
Theory-Based Extension of the Catalyst Scope in the Base-Catalyzed Hydrogenation of Ketones: RCOOH-Catalyzed Hydrogenation of Carbonyl Compounds with H2 Involving a Proton Shuttle.

Mojgan Heshmat, Timofei Privalov

|Jul 06, 2017
Computational Elucidation of a Role That Brønsted Acidification of the Lewis Acid-Bound Water Might Play in the Hydrogenation of Carbonyl Compounds with H2 in Lewis Basic Solvents.

Mojgan Heshmat, Timofei Privalov

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Frequent Collaborators

4 joint publications

Mojgan Heshmat