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Dalton Transactions (Cambridge, England : 2003)|May 26, 2009
Hydrogenation of imines by phosphonium borate zwitterions: a theoretical studyTimofei PrivalovChemistry (Weinheim an Der Bergstrasse, Germany)|January 6, 2009
On the possibility of conversion of alcohols to ketones and aldehydes by phosphinoboranes R2PBR'R'': a computational studyTimofei PrivalovThe Journal of Physical Chemistry. A|August 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 ModelsMojgan Heshmat, Timofei PrivalovChemistry (Weinheim an Der Bergstrasse, Germany)|November 25, 2016
A Prediction of Proton-Catalyzed Hydrogenation of Ketones in Lewis Basic Solvent through Facile Splitting of Hydrogen MoleculesMojgan Heshmat, Timofei PrivalovChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|August 27, 2014
Ab initio molecular dynamics study of hydrogen cleavage by a Lewis base [tBu3P] and a Lewis acid [B(C6F5)3] at the mesoscopic level--dynamics in the solute-solvent molecular clustersMaoping Pu, Timofei PrivalovDalton Transactions (Cambridge, England : 2003)|April 6, 2006
A computational study of oxidation of ruthenium porphyrins via ORu(IV) and ORu(VI)O speciesWiktor Zierkiewicz, Timofei PrivalovChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|August 12, 2014
How frustrated Lewis acid/base systems pass through transition-state regions: H2 cleavage by [tBu3P/B(C6F5)3]Maoping Pu, Timofei PrivalovInorganic Chemistry|April 17, 2014
Uncovering the role of intra- and intermolecular motion in frustrated Lewis acid/base chemistry: ab initio molecular dynamics study of CO2 binding by phosphorus/boron frustrated Lewis pair [tBu3P/B(C6F5)3]Maoping Pu, Timofei PrivalovThe Journal of Chemical Physics|April 26, 2013
Ab initio dynamics trajectory study of the heterolytic cleavage of H2 by a Lewis acid [B(C6F5)3] and a Lewis base [P(tBu)3]Maoping Pu, Timofei PrivalovChemistry (Weinheim an Der Bergstrasse, Germany)|July 6, 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 SolventsMojgan Heshmat, Timofei PrivalovPageof 4