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Pavel A. Dub

Affiliations: 
Los Alamos National Laboratory, Los Alamos, NM, United States 
Area:
organometallic chemistry, homogeneous catalysis, molecular spectroscopy, asymmetric synthesis
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"Pavel Dub"
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Parents

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Elena S. Shubina research assistant 2002-2007 Nesmeyanov Institute of Organoelement Compounds of the Russian Academy of Sciences
Rinaldo Poli grad student 2007-2010 Université Toulouse III - Paul Sabatier
Takao Ikariya post-doc 2010-2013 Tokyo Institute of Technology
John C. Gordon post-doc 2013-2015 LANL

Children

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Nikolay V. Tkachenko grad student LANL

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Publications

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Rublev P, Tkachenko NV, Dub PA, et al. (2023) On the existence of CO microsolvated clusters: a theoretical study. Physical Chemistry Chemical Physics : Pccp
Do VK, Vargas NA, Chavez AJ, et al. (2022) Pressurized Formic Acid Dehydrogenation: An Entropic Spring Replaces Hydrogen Compression Cost. Catalysis Science & Technology. 12: 7182-7189
Yokelson D, Tkachenko NV, Robey R, et al. (2022) Performance Analysis of CP2K Code for Ab Initio Molecular Dynamics on CPUs and GPUs. Journal of Chemical Information and Modeling
Dub PA, Tkachenko NV. (2021) Mechanism of Potassium -Butoxide-Catalyzed Ketones Hydrogenation in the Solution Phase. The Journal of Physical Chemistry. A. 125: 5726-5737
Zhang G, Wu J, Zheng S, et al. (2020) Correction to "Redox-Noninnocent Ligand-Supported Vanadium Catalysts for the Chemoselective Reduction of C═X (X = O, N) Functionalities". Journal of the American Chemical Society
Dub PA, Batrice RJ, Gordon JC, et al. (2020) Engineering Catalysts for Selective Ester Hydrogenation Organic Process Research & Development. 24: 415-442
Zhang G, Wu J, Zheng S, et al. (2019) Redox Non-Innocent Ligand Supported Vanadium Catalysts for the Chemoselective Reduction of C=X (X = O, N) Functionalities. Journal of the American Chemical Society
Dub PA, Matsunami A, Kuwata S, et al. (2019) Cleavage of N-H Bond of Ammonia via Metal-Ligand Cooperation Enables Rational Design of a Conceptually New Noyori-Ikariya Catalyst. Journal of the American Chemical Society. 141: 2661-2677
Dub PA, Gordon JC. (2018) The role of the metal-bound N–H functionality in Noyori-type molecular catalysts Nature Reviews Chemistry. 2: 396-408
Zhang G, Wu J, Zeng H, et al. (2018) Dearomatization and Functionalization of Terpyridine Ligands Leading to Unprecedented Zwitterionic Meisenheimer Aluminum Complexes and Their Use in Catalytic Hydroboration Acs Catalysis. 9: 874-884
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