Pavel Dub
Pavel Dub
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Catalytic reductive transformations of carboxylic and carbonic acid derivatives using molecular hydrogen
PA Dub, T Ikariya
ACS Catalysis 2 (8), 1718-1741, 2012
Metal–Ligand Bifunctional Catalysis: the “Accepted” Mechanism, the Issue of Concertedness and the Function of the Ligand in Catalytic Cycles Involving Hydrogen Atoms
PA Dub, JC Gordon
ACS Catalysis, 2017
Unravelling the Mechanism of the Asymmetric Hydrogenation of Acetophenone by [RuX2(diphosphine)(1,2-diamine)] Catalysts
PA Dub, NJ Henson, RL Martin, JC Gordon
Journal of the American Chemical Society 136 (9), 3505-3521, 2014
The mechanism of enantioselective ketone reduction with Noyori and Noyori–Ikariya bifunctional catalysts
PA Dub, JC Gordon
Dalton Transactions 45 (16), 6756-6781, 2016
The role of the metal-bound N–H functionality in Noyori-type molecular catalysts
PA Dub, JC Gordon
Nature Reviews Chemistry 2, 396–408, 2018
Quantum chemical calculations with the inclusion of nonspecific and specific solvation: Asymmetric transfer hydrogenation with bifunctional ruthenium catalysts
PA Dub, T Ikariya
Journal of the American Chemical Society 135 (7), 2604-2619, 2013
Why Does Alkylation of the N–H Functionality within M/NH Bifunctional Noyori-Type Catalysts Lead to Turnover?
PA Dub, BL Scott, JC Gordon
Journal of the American Chemical Society 139 (3), 1245-1260, 2017
Practical selective hydrogenation of α-fluorinated esters with bifunctional pincer-type ruthenium (II) catalysts leading to fluorinated alcohols or fluoral hemiacetals
T Otsuka, A Ishii, PA Dub, T Ikariya
Journal of the American Chemical Society 135 (26), 9600-9603, 2013
Experimental and computational studies of hydrogen bonding and proton transfer to [Cp* Fe (dppe) H]
NV Belkova, E Collange, P Dub, LM Epstein, DA Lemenovskii, A Lledós, ...
Chemistry-A European Journal 11 (3), 873-888, 2005
Redox-Noninnocent Ligand-Supported Vanadium Catalysts for the Chemoselective Reduction of C═ X (X= O, N) Functionalities
G Zhang, J Wu, S Zheng, MC Neary, J Mao, M Flores, RJ Trovitch, PA Dub
Journal of the American Chemical Society 141 (38), 15230-15239, 2019
Dearomatization and Functionalization of Terpyridine Ligands Leading to Unprecedented Zwitterionic Meisenheimer Aluminum Complexes and Their Use in Catalytic Hydroboration
G Zhang, J Wu, H Zeng, MC Neary, M Devany, S Zheng, PA Dub
ACS Catalysis 9, 874-884, 2019
Platinum-Catalyzed Ethylene Hydroamination with Aniline: Synthesis, Characterization, and Studies of Intermediates
PA Dub, M Rodriguez-Zubiri, JC Daran, JJ Brunet, R Poli
Organometallics 28 (16), 4764-4777, 2009
The Pt-Catalyzed Ethylene Hydroamination by Aniline: A Computational Investigation of the Catalytic Cycle
PA Dub, R Poli
Journal of the American Chemical Society 132 (39), 13799-13812, 2010
Air-stable NNS (ENENES) ligands and their well-defined ruthenium and iridium complexes for molecular catalysis
PA Dub, BL Scott, JC Gordon
Organometallics 34 (18), 4464-4479, 2015
Correlation-Informed Permutation of Qubits for Reducing Ansatz Depth in the Variational Quantum Eigensolver
NV Tkachenko, J Sud, Y Zhang, S Tretiak, PM Anisimov, AT Arrasmith, ...
PRX Quantum 2, 020337, 2021
A computational study of solution equilibria of platinum-based ethylene hydroamination catalytic species including solvation and counterion effects: Proper treatment of the …
PA Dub, R Poli
Journal of Molecular Catalysis A: Chemical 324 (1), 89-96, 2010
Kinetics and thermodynamics of proton transfer to CpRu(dppe)H: Via dihydrogen bonding and (η2-H2)-complex to the dihydride
NV Belkova, PA Dub, M Baya, J Houghton
Inorganica chimica acta 360 (1), 149-162, 2007
Engineering Catalysts for Selective Ester Hydrogenation
PA Dub, RJ Batrice, JC Gordon, BL Scott, Y Minko, JG Schmidt, ...
Organic Process Research & Development 24 (3), 415-442, 2020
Dihydrogen to Dihydride Isomerization Mechanism in [(C5Me5)FeH2(Ph2PCH2CH2PPh2)]+ through the Experimental and Theoretical Analysis of Kinetic …
M Baya, O Maresca, R Poli, Y Coppel, F Maseras, A Lledós, NV Belkova, ...
Inorganic chemistry 45 (25), 10248-10262, 2006
Solvent‐Dependent Dihydrogen/Dihydride Stability for [Mo (CO)(Cp*) H2 (PMe3) 2]+[BF4]− Determined by Multiple Solvent⋅⋅⋅ Anion⋅⋅⋅ Cation Non‐Covalent Interactions
PA Dub, NV Belkova, OA Filippov, JC Daran, LM Epstein, A Lledós, ...
Chemistry-A European Journal 16 (1), 189-201, 2010
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