UNT Scholarly Works - 372 Matching Results

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Primary view of Through-Bond Interactions in the Diradical Intermediates Formed in the Rearrangements of Bicyclo[n.m.0]alkatetraenes
Lovitt, Charity Flener; Dong, Hao; Hrovat, David A.; Gleiter, Rolf & Borden, Weston T.
September 24, 2010
Primary view of Current Applications of Computational Chemistry in JACS - Molecules, Mechanisms, and Materials
Borden, Weston T.
September 21, 2011
Primary view of Experimental Evidence for Heavy-Atom Tunneling in the Ring-Opening of Cyclopropylcarbinyl Radical from Intramolecular 12C/13C Kinetic Isotope Effects
Gonzalez-James, Ollie M.; Zhang, Xue; Datta, Ayan; Hrovat, David A.; Singleton, Daniel A. & Borden, Weston T.
August 19, 2010
Primary view of First-Principles-Based Kinetic Monte Carlo Simulation of Nitric Oxide Reduction over Platinum Nanoparticles under Lean-Burn Conditions
Mei, Donghai; Du, Jincheng & Neurock, Matthew
September 16, 2010
Primary view of Effects of Geminal Methyl Groups on the Tunnelling Rates in the Ring Opening of Cyclopropylcarbinyl Radical at Cryogenic Temperature
Zhang, Xue; Hrovat, David A.; Datta, Ayan & Borden, Weston T.
2011
Primary view of Cyclooctatetraenes Tetrakis-Annelated with α-Dithio- or α-Diselenocarbonyl Groups: Diradicals Predicted To Have Ground States with 10 π Electrons in the Eight-Membered Ring and Two-Center, Three-Electron, σ Bonds between Two Pairs of Chalcogen Atoms
Zhou, Xin; Hrovat, David A. & Borden, Weston T.
February 12, 2010
Primary view of Photoelectron Spectroscopic Study of the Oxyallyl Diradical
Ichino, Takatoshi; Villano, Stephanie M.; Gianola, Adam J.; Goebbert, Daniel J.; Velarde, Luis; Sanov, Andrei et al.
February 16, 2011
Primary view of Cooperative Effects in the Annelation of Benzene by Multiple Etheno Groups
Bao, Xiaoguang; Hrovat, David A. & Borden, Weston T.
April 20, 2011
Primary view of With a Little Help from My Friends: Forty Years of Fruitful Chemical Collaborations
Borden, Weston T.
March 31, 2011
Primary view of Calculations Predict That Carbon Tunneling Allows the Degenerate Cope Rearrangement of Semibullvalene to Occur Rapidly at Cryogenic Temperatures
Zhang, Xue; Hrovat, David A. & Borden, Weston T.
May 27, 2010
Primary view of Experimental and Computational Studies of the Isomerization Reactions of Bidentate Phosphine Ligands in Triosmium Clusters: Kinetics of the Rearrangements from Bridged to Chelated Isomers and X-ray Structures of the Clusters Os3 (CO)10 (dppbz), 1,1-Os3 (CO)10 (dppbzF4), HOs3 (CO)9 [μ -1,2-PhP (C6H4-ɳ1) C6H4PPh2], and HOs3 (CO)9- [μ-1,2-PhP (C6H4-ɳ 1) C6F4PPh2]
Zhang, Xue; Kandala, Srikanth; Yang, Li; Watson, William H.; Wang, Xiaoping; Hrovat, David A. et al.
February 22, 2011
Primary view of The Synergy Between Qualitative Theory, Quantitative Calculations, and Direct Experiments in Understanding, Calculating, and Measuring the Energy Differences Between the Lowest Singlet and Triplet States of Organic Diradicals
Lineberger, W. Carl & Borden, Weston T.
April 18, 2011
Primary view of On the mechanism for plasma hydrogenation of graphene
Jones, Jason D.; Hoffmann, William D.; Jesseph, Aaron V.; Morris, Christopher; Verbeck, Guido F. & Pérez, José M.
December 6, 2010
Primary view of Periodic and Molecular Modeling Study of Donor - Acceptor Interactions in (dbbpy)Pt(tdt) • TENF and [Pt(dbbpy)(tdt)]₂ • TENF
Cundari, Thomas R., 1964-; Chilukuri, Bhaskar; Hudson, Joshua M.; Minot, Christian; Omary, Mohammad A. & Rabaâ, Hassan
January 15, 2010
Primary view of COâ‚‚ Reduction on Transition Metal (Fe, Co, Ni, and Cu) Surfaces: In Comparison with Homogeneous Catalysis
Liu, Cong; Cundari, Thomas R., 1964- & Wilson, Angela K.
February 22, 2012
Primary view of Selectivity and Mechanism of Hydrogen Atom Transfer by an Isolable Imidoiron (III) Complex
Cowley, Ryan E.; Eckert, Nathan A.; Vaddadi, Sridhar; Figg, Travis M.; Cundari, Thomas R., 1964- & Holland, Patrick L.
May 12, 2011
Primary view of C-H Functionalization Reactivity of a Nickel-Imide
Wiese, Stefan; McAfee, Jason L.; Pahls, Dale R.; McMullin, Claire L.; Cundari, Thomas R., 1964- & Warren, Timothy H.
May 22, 2012
Primary view of Carbon-Oxygen Bond Formation via Organometallic Baeyer-Villiger Transformations: A Computational Study on the Impact of Metal Identity
Figg, Travis M.; Webb, Joanna R.; Cundari, Thomas R., 1964- & Gunnoe, T. Brent
December 20, 2011
Primary view of Reductive Elimination of Alkylamines from Low-Valent, Alkylpalladium(II) Amido Complexes
Hanley, Patrick S.; Marquard, Seth L.; Cundari, Thomas R., 1964- & Hartwig, John F.
August 30, 2012
Primary view of Flavin-Catalyzed Insertion of Oxygen into Rhenium-Methyl Bonds
Pouy, Mark J.; Milczek, Erika M.; Figg, Travis M.; Otten, Brooke M.; Prince, Bruce M.; Gunnoe, T. Brent et al.
July 24, 2010
Primary view of Mechanistic Studies of Ethylene Hydrophenylation Catalyzed by Bipyridyl Pt(II) Complexes
McKeown, Bradley A.; Gonzalez, Hector Emanuel; Friedfeld, Max R.; Gunnoe, T. Brent; Cundari, Thomas R., 1964- & Sabat, Michal
November 8, 2011
Primary view of A Masked Two-Coordinate Cobalt (I) Complex That Activates C-F Bonds
Dugan, Thomas R.; Sun, Xianru; Rybak-Akimova, Elena V.; Olatunji-Ojo, Olayinka; Cundari, Thomas R., 1964- & Holland, Patrick L.
July 19, 2011
Primary view of A Two-Coordinate Nickel Imido Complex That Effects C-H Amination
Laskowski, Carl A.; Miller, Alexander J.M.; Hillhouse, Gregory L. & Cundari, Thomas R., 1964-
December 22, 2010
Primary view of Net Hydrogenation of Pt-NHPh Bond Is Catalyzed by Elemental Pt
Webb, Joanna R.; Pierpont, Aaron W.; Munro-Leighton, Colleen; Gunnoe, T. Brent; Cundari, Thomas R., 1964- & Boyle, Paul D.
March 11, 2010
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