UNT Scholarly Works - 297 Matching Results

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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
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 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 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 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 Current Applications of Computational Chemistry in JACS - Molecules, Mechanisms, and Materials
Borden, Weston T.
September 21, 2011
Primary view of Calculations of the Relative Energies of the 2B1g and 2A2u States of Cyclobutanetetraone Radical Cation and Radical Anion Provide Further Evidence of a 3B2u Ground State for the Neutral Molecule: A Proposed Experimental Test of the Prediction of a Triplet Ground State for (CO)4
Zhou, Xin; Hrovat, David A. & Borden, Weston T.
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 With a Little Help from My Friends: Forty Years of Fruitful Chemical Collaborations
Borden, Weston T.
March 31, 2011
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 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 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, 2012
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 Teaching Students Organic Chemistry: QEP III Next Generation Course Redesign™
Lavezo, Jonathan L. & Dandekar, Sushama Ashok
April 15, 2010
Primary view of Computational study on NiA1: ground state, structure, and spectroscopic constants using density-functional theory
Janardan, Smitha S. & Cundari, Thomas R., 1964-
April 15, 2010
Primary view of Magnetic Levitation without Feedback Control
Wofford, Joshua D. & Ordonez, Carlos A.
April 19, 2012
Primary view of Chiral Porphyrins as Selective Pharmaceutical Receptors
Guess, Spencer & Verrill, Diane
April 19, 2012
Primary view of Do You Know How To Maintain Beautiful Skin? Analysis of Skin Care Among Different Age Groups
Ito, Aimi & Eve, Susan Brown
April 19, 2012
Primary view of Is The Future Integration Of Nanotechnology Into Osteopathic Medicine Plausible?
Mars, Jason & Verrill, Diane
April 19, 2012
Primary view of A Study of the Accuracy and Precision Among XRF, ICP-MS, and PIXE on Trace Element Analyses of Small Water Samples
Patnaik, Ritish; Naik, Sahil N.; Hart, Aaron S.; Kummari, Venkata C.; Phinney, Lucas; Dhoubhadel, Mangal et al.
April 14, 2011
Primary view of Biocompatible Graphene-based Growth of Cancer Cells: A Work in Progress
Parks, Melissa & Verrill, Diane
April 19, 2012
Primary view of Quantum Mechanical Prediction of the Existence of Rare Gas-bound Species
Shi, Katheryn; Wilson, Angela K. & Wilson, Brent
April 15, 2010
Primary view of Teaching Students Organic Chemistry: QEP III Next Generation Course Redesign™
Lavezo, Jonathan L. & Dandekar, Sushama Ashok
April 15, 2010