Articles with public access mandates - Tom CundariLearn more
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Iron-catalyzed homogeneous hydrogenation of alkenes under mild conditions by a stepwise, bifunctional mechanism
R Xu, S Chakraborty, SM Bellows, H Yuan, TR Cundari, WD Jones
ACS Catalysis 6 (3), 2127-2135, 2016
Mandates: US National Science Foundation
A rhodium catalyst for single-step styrene production from benzene and ethylene
BA Vaughan, MS Webster-Gardiner, TR Cundari, TB Gunnoe
Science 348 (6233), 421-424, 2015
Mandates: US Department of Energy, US National Aeronautics and Space Administration
Experimental and computational studies of the ruthenium-catalyzed hydrosilylation of alkynes: Mechanistic insights into the regio-and stereoselective formation of vinylsilanes
R Gao, DR Pahls, TR Cundari, CS Yi
Organometallics 33 (23), 6937-6944, 2014
Mandates: US Department of Energy
Comparative nitrene-transfer chemistry to olefinic substrates mediated by a library of anionic Mn (II) triphenylamido-amine reagents and M (II) congeners (M= Fe, Co, Ni …
V Bagchi, A Kalra, P Das, P Paraskevopoulou, S Gorla, L Ai, Q Wang, ...
ACS Catalysis 8 (10), 9183-9206, 2018
Mandates: US National Science Foundation, US Department of Energy, US National …
Three-Coordinate Copper (II) Aryls: Key Intermediates in C–O Bond Formation
S Kundu, C Greene, KD Williams, TK Salvador, JA Bertke, TR Cundari, ...
Journal of the American Chemical Society 139 (27), 9112-9115, 2017
Mandates: US National Science Foundation
DFT and QSAR studies of ethylene polymerization by zirconocene catalysts
R Parveen, TR Cundari, JM Younker, G Rodriguez, L McCullough
ACS Catalysis 9 (10), 9339-9349, 2019
Mandates: US National Science Foundation
Synthesis and Characterization of (smif)2Mn (n = 0, M = V, Cr, Mn, Fe, Co, Ni, Ru; n = +1, M = Cr, Mn, Co, Rh, Ir; smif =1,3-di-(2-pyridyl)-2-azaallyl)
BA Frazier, ER Bartholomew, PT Wolczanski, S DeBeer, ...
Inorganic Chemistry 50 (24), 12414-12436, 2011
Mandates: US National Institutes of Health
Reductive Elimination from Phosphine-Ligated Alkylpalladium(II) Amido Complexes To Form sp3 Carbon–Nitrogen Bonds
DM Peacock, Q Jiang, PS Hanley, TR Cundari, JF Hartwig
Journal of the American Chemical Society 140 (14), 4893-4904, 2018
Mandates: US National Science Foundation, US National Institutes of Health
Computational Mechanistic Study of Electro-Oxidation of Ammonia to N2 by Homogenous Ruthenium and Iron Complexes
A Najafian, TR Cundari
The Journal of Physical Chemistry A 123 (37), 7973-7982, 2019
Mandates: US National Science Foundation
Synthesis, Photophysical Properties, and Computational Analysis of Di-and Tetranuclear Alkyne Complexes of Copper (I) Supported by a Highly Fluorinated Pyrazolate
D Parasar, RM Almotawa, NB Jayaratna, YS Ceylan, TR Cundari, ...
Organometallics 37 (21), 4105-4118, 2018
Mandates: US National Science Foundation
Heterobimetallic Silver–Iron Complexes Involving Fe(CO)5 Ligands
G Wang, YS Ceylan, TR Cundari, HVR Dias
Journal of the American Chemical Society 139 (40), 14292-14301, 2017
Mandates: US National Science Foundation, US Department of Energy
An uncanny dehydrogenation mechanism: polar bond control over stepwise or concerted transition states
SM Bellows, S Chakraborty, JB Gary, WD Jones, TR Cundari
Inorganic Chemistry 56 (10), 5519-5524, 2017
Mandates: US National Science Foundation
Reductive functionalization of a rhodium (III)–methyl bond in acidic media: key step in the electrophilic functionalization of methane
ME O’Reilly, DR Pahls, TR Cundari, TB Gunnoe
Organometallics 33 (22), 6504-6510, 2014
Mandates: US Department of Energy
Methane C–H activation via 3d metal methoxide complexes with potentially redox-noninnocent pincer ligands: a density functional theory study
A Najafian, TR Cundari
Inorganic Chemistry 56 (20), 12282-12290, 2017
Mandates: US National Science Foundation
Solvent-Dependent Thermochemistry of an Iridium/Ruthenium H2 Evolution Catalyst
KR Brereton, CL Pitman, TR Cundari, AJM Miller
Inorganic Chemistry 55 (22), 12042-12051, 2016
Mandates: US National Science Foundation, US National Institutes of Health
Control of C–H Bond Activation by Mo-Oxo Complexes: pKa or Bond Dissociation Free Energy (BDFE)?
A Nazemi, TR Cundari
Inorganic Chemistry 56 (20), 12319-12327, 2017
Mandates: US National Science Foundation
Aqueous hydricity from calculations of reduction potential and acidity in water
KR Brereton, SM Bellows, H Fallah, AA Lopez, RM Adams, AJM Miller, ...
The Journal of Physical Chemistry B 120 (50), 12911-12919, 2016
Mandates: US National Science Foundation
Computational assessment of counterion effect of borate anions on ethylene polymerization by zirconocene and hafnocene catalysts
R Parveen, TR Cundari, JM Younker, G Rodriguez
Organometallics 39 (11), 2068-2079, 2020
Mandates: US National Science Foundation
Computational study of methane C–H activation by diiminopyridine nitride/nitridyl complexes of 3d transition metals and main-group elements
Z Sun, OA Hull, TR Cundari
Inorganic Chemistry 57 (12), 6807-6815, 2018
Mandates: US National Science Foundation, US Department of Energy
First-row transition metal and lithium pyridine-ene-amide complexes exhibiting N-and C-isomers and ligand-based activation of benzylic C–H bonds
BM Lindley, PT Wolczanski, TR Cundari, EB Lobkovsky
Organometallics 34 (19), 4656-4668, 2015
Mandates: US Department of Energy
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