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Timofei Privalov
ORCID
Publication Activity (10 Years)
Years Active: 2017-2018
Publications (10 Years): 6
Top Topics
Density Functional Theory
Preterm Infants
Electron Transfer
Visible Light
Top Venues
The journal of physical chemistry. A
Chemistry (Weinheim an der Bergstrasse, Germany)
The journal of physical chemistry. B
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This page only lists publications with an associated author ORCID identifier.
Publications
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Mojgan Heshmat
,
Timofei Privalov
Structurally Flexible Oxocarbenium/Borohydride Ion Pair: Dynamics of Hydride Transfer on the Background of Conformational Roaming.
The journal of physical chemistry. A
122 (23) (2018)
Mojgan Heshmat
,
Timofei Privalov
Water and a Borohydride/Hydronium Intermediate in the Borane-Catalyzed Hydrogenation of Carbonyl Compounds with H2 in Wet Ether: A Computational Study.
The journal of physical chemistry. B
122 (38) (2018)
Mojgan Heshmat
,
Timofei Privalov
Surprisingly Flexible Oxonium/Borohydride Ion Pair Configurations.
The journal of physical chemistry. A
122 (15) (2018)
Mojgan Heshmat
,
Timofei Privalov
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.
The journal of physical chemistry. A
122 (36) (2018)
Mojgan Heshmat
,
Timofei Privalov
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.
Chemistry (Weinheim an der Bergstrasse, Germany)
23 (48) (2017)
Mojgan Heshmat
,
Timofei Privalov
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.
Chemistry (Weinheim an der Bergstrasse, Germany)
23 (72) (2017)