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Timofei Privalov

6PUBLICATIONS

1CO-AUTHORS

EcohydrologyChemical thermodynamics and energeticsPhotonics, optoelectronics and optical communicationsRadiation and matter

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Publications (6)

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|Sep 01, 2018

Water and a Borohydride/Hydronium Intermediate in the Borane-Catalyzed Hydrogenation of Carbonyl Compounds with H<sub>2</sub> in Wet Ether: A Computational Study.

Mojgan Heshmat, Timofei Privalov

|Aug 15, 2018

H<sub>2</sub> 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 H<sub>2</sub> 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 H<sub>2</sub> in Lewis Basic Solvents.

Mojgan Heshmat, Timofei Privalov

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Frequent Collaborators

4 joint publications

Mojgan Heshmat

Frequent Collaborators

4 joint publications

Mojgan Heshmat

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