| 1 |
Structurally Flexible Oxocarbenium/Borohydride Ion Pair: Dynamics of Hydride Transfer on the Background of Conformational Roaming
Heshmat M, Privalov T
Journal of Physical Chemistry A, 122(23), 5098, 2018 |
| 2 |
Surprisingly Flexible Oxonium/Borohydride Ion Pair Configurations
Heshmat M, Privalov T
Journal of Physical Chemistry A, 122(15), 3713, 2018 |
| 3 |
H-2 Cleavage by Frustrated Lewis Pairs Characterized by the Energy Decomposition Analysis of Transition States: An Alternative to the Electron Transfer and Electric Field Models
Heshmat M, Privalov T
Journal of Physical Chemistry A, 122(36), 7202, 2018 |
| 4 |
Water and a Borohydride/Hydronium Intermediate in the Borane-Catalyzed Hydrogenation of Carbonyl Compounds with H-2 in Wet Ether: A Computational Study
Heshmat M, Privalov T
Journal of Physical Chemistry B, 122(38), 8952, 2018 |
| 5 |
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 [tBu(3)P/B(C6F5)(3)]
Pu MP, Privalov T
Inorganic Chemistry, 53(9), 4598, 2014 |
| 6 |
Toward Controlling Water Oxidation Catalysis: Tunable Activity of Ruthenium Complexes with Axial Imidazole/DMSO Ligands
Wang L, Duan LL, Stewart B, Pu MP, Liu JH, Privalov T, Sun LC
Journal of the American Chemical Society, 134(45), 18868, 2012 |
| 7 |
Hydrogenation of carbon-heteroatom unsaturated bonds: An assessment of consistency of density functional methods
Nyhlen J, Privalov T
Journal of Molecular Catalysis A-Chemical, 324(1-2), 97, 2010 |
| 8 |
CO Assistance in Ligand Exchange of a Ruthenium Racemization Catalyst: Identification of an Acyl Intermediate
Aberg JB, Nyhlen J, Martin-Matute B, Privalov T, Backvall JE
Journal of the American Chemical Society, 131(27), 9500, 2009 |
| 9 |
Self-adaptable catalysts: Substrate-dependent ligand configuration
Zalubovskis R, Bouet A, Fjellander E, Constant S, Linder D, Fischer A, Lacour J, Privalov T, Moberg C
Journal of the American Chemical Society, 130(6), 1845, 2008 |
| 10 |
A computational study of O-O bond formation catalyzed by monoand Bis-Mn-IV-Corrole complexes
Privalov T, Sun L, Akermark B, Liu J, Gao Y, Wang M
Inorganic Chemistry, 46(17), 7075, 2007 |
