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Through-Bond Interactions in the Diradical Intermediates Formed in the Rearrangements of Bicyclo[n.m.0]alkatetraenes
Article on through-bond interactions in the diradical intermediates formed in the rearrangements of bicyclo[n.m.0]alkatetraenes.
Date:
September 24, 2010
Creator:
Lovitt, Charity Flener; Dong, Hao; Hrovat, David A.; Gleiter, Rolf & Borden, Weston T.
Object Type:
Article
System:
The UNT Digital Library
Current Applications of Computational Chemistry in JACS - Molecules, Mechanisms, and Materials
Article discussing molecules, mechanisms, and materials and current applications of computational chemistry in the Journal of the American Chemical Society (JACS).
Date:
September 21, 2011
Creator:
Borden, Weston T.
Object Type:
Article
System:
The UNT Digital Library
Experimental Evidence for Heavy-Atom Tunneling in the Ring-Opening of Cyclopropylcarbinyl Radical from Intramolecular 12C/13C Kinetic Isotope Effects
Article on experimental evidence for heavy-atom tunneling in the ring-opening of cyclopropylcarbinyl radical from intramolecular 12C/13C kinetic isotope effects.
Date:
August 19, 2010
Creator:
Gonzalez-James, Ollie M.; Zhang, Xue; Datta, Ayan; Hrovat, David A.; Singleton, Daniel A. & Borden, Weston T.
Object Type:
Article
System:
The UNT Digital Library
First-Principles-Based Kinetic Monte Carlo Simulation of Nitric Oxide Reduction over Platinum Nanoparticles under Lean-Burn Conditions
This article discusses first-principles-based kinetic Monte Carlo simulation of Nitric Oxide reduction.
Date:
September 16, 2010
Creator:
Mei, Donghai; Du, Jincheng & Neurock, Matthew
Object Type:
Article
System:
The UNT Digital Library
Effects of Geminal Methyl Groups on the Tunnelling Rates in the Ring Opening of Cyclopropylcarbinyl Radical at Cryogenic Temperature
Article on the effects of geminal methyl groups on the tunnelling rates in the ring opening of cyclopropylcarbinyl radical at cryogenic temperature.
Date:
2011
Creator:
Zhang, Xue; Hrovat, David A.; Datta, Ayan & Borden, Weston T.
Object Type:
Article
System:
The UNT Digital Library
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
Article on cyclooctatetraenes tetrakis-annelated with α-dithio- or α-diselenocarbonyl groups.
Date:
February 12, 2010
Creator:
Zhou, Xin; Hrovat, David A. & Borden, Weston T.
Object Type:
Article
System:
The UNT Digital Library
Photoelectron Spectroscopic Study of the Oxyallyl Diradical
Article on a photoelectron spectroscopic study of the oxyallyl diradical.
Date:
February 16, 2011
Creator:
Ichino, Takatoshi; Villano, Stephanie M.; Gianola, Adam J.; Goebbert, Daniel J.; Velarde, Luis; Sanov, Andrei et al.
Object Type:
Article
System:
The UNT Digital Library
Cooperative Effects in the Annelation of Benzene by Multiple Etheno Groups
Article on cooperative effects in the annelation of benzene by multiple etheno groups.
Date:
April 20, 2011
Creator:
Bao, Xiaoguang; Hrovat, David A. & Borden, Weston T.
Object Type:
Article
System:
The UNT Digital Library
With a Little Help from My Friends: Forty Years of Fruitful Chemical Collaborations
Article discussing forty years of fruitful chemical collaborations and the author's perspective on collaborative research in eight different areas of organic and theoretical chemistry.
Date:
March 31, 2011
Creator:
Borden, Weston T.
Object Type:
Article
System:
The UNT Digital Library
Calculations Predict That Carbon Tunneling Allows the Degenerate Cope Rearrangement of Semibullvalene to Occur Rapidly at Cryogenic Temperatures
Article on calculations predicting that carbon tunneling allows the degenerate cope rearrangement of semibullvalene to occur rapidly at cryogenic temperatures.
Date:
May 27, 2010
Creator:
Zhang, Xue; Hrovat, David A. & Borden, Weston T.
Object Type:
Article
System:
The UNT Digital Library
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]
Article on experimental and computational studies of the isomerization reactions of bidentate phosphine ligands in triosmium clusters.
Date:
February 22, 2011
Creator:
Zhang, Xue; Kandala, Srikanth; Yang, Li; Watson, William H.; Wang, Xiaoping; Hrovat, David A. et al.
Object Type:
Article
System:
The UNT Digital Library
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
Article discussing 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.
Date:
April 18, 2012
Creator:
Lineberger, W. Carl & Borden, Weston T.
Object Type:
Article
System:
The UNT Digital Library
On the mechanism for plasma hydrogenation of graphene
This article discusses the mechanism for plasma hydrogenation of graphene.
Date:
December 6, 2010
Creator:
Jones, Jason D.; Hoffmann, William D.; Jesseph, Aaron V.; Morris, Christopher; Verbeck, Guido F. & Pérez, José M.
Object Type:
Article
System:
The UNT Digital Library
Computational study on NiA1: ground state, structure, and spectroscopic constants using density-functional theory
This paper discusses a computational study on NiA1 and ground state, structure, and spectroscopic constants using density-functional theory.
Date:
April 15, 2010
Creator:
Janardan, Smitha S. & Cundari, Thomas R., 1964-
Object Type:
Paper
System:
The UNT Digital Library
Teaching Students Organic Chemistry: QEP III Next Generation Course Redesign™
This paper discusses research on teaching students organic chemistry and a QEP III Next Generation (N-Gen) Course Redesign project.
Date:
April 15, 2010
Creator:
Lavezo, Jonathan L. & Dandekar, Sushama Ashok
Object Type:
Paper
System:
The UNT Digital Library
Magnetic Levitation without Feedback Control
This paper discusses research on magnetic levitation without feedback control.
Date:
April 19, 2012
Creator:
Wofford, Joshua D. & Ordonez, Carlos A.
Object Type:
Paper
System:
The UNT Digital Library
Chiral Porphyrins as Selective Pharmaceutical Receptors
Poster presentation for the 2009 University Scholars Day at the University of North Texas discussing research on chiral porphyrins as selective pharmaceutical receptors.
Date:
April 19, 2012
Creator:
Guess, Spencer & Verrill, Diane
Object Type:
Poster
System:
The UNT Digital Library
Do You Know How To Maintain Beautiful Skin? Analysis of Skin Care Among Different Age Groups
Poster presentation for the 2012 University Scholars Day at the University of North Texas discussing research on skin care among different age groups.
Date:
April 19, 2012
Creator:
Ito, Aimi & Eve, Susan Brown
Object Type:
Poster
System:
The UNT Digital Library
Is The Future Integration Of Nanotechnology Into Osteopathic Medicine Plausible?
Poster presentation for the 2012 University Scholars Day at the University of North Texas discussing research on the conceptual and analytical aspects of the integration of nanotechnology into osteopathic medicine and its benefits.
Date:
April 19, 2012
Creator:
Mars, Jason & Verrill, Diane
Object Type:
Poster
System:
The UNT Digital Library
A Study of the Accuracy and Precision Among XRF, ICP-MS, and PIXE on Trace Element Analyses of Small Water Samples
Poster for the 2011 University Scholars Day at the University of North Texas discussing a study of the accuracy and precision among XRF, ICP-MS, and PIXE on trace element analyses of small water samples.
Date:
April 14, 2011
Creator:
Patnaik, Ritish; Naik, Sahil N.; Hart, Aaron S.; Kummari, Venkata C.; Phinney, Lucas; Dhoubhadel, Mangal et al.
Object Type:
Poster
System:
The UNT Digital Library
Biocompatible Graphene-based Growth of Cancer Cells: A Work in Progress
Poster presentation for the 2012 University Scholars Day at the University of North Texas. This poster discusses research on the biocompatible graphene-based growth of cancer cells. Graphene is made of a single layer of carbon atoms. Recently is has been used to successfully differentiate stem cells in neural cells.
Date:
April 19, 2012
Creator:
Parks, Melissa & Verrill, Diane
Object Type:
Poster
System:
The UNT Digital Library
Teaching Students Organic Chemistry: QEP III Next Generation Course Redesign™
Presentation for the 2010 University Scholars Day at the University of North Texas discussing teaching students organic chemistry and a QEP III Next Generation course redesign.
Date:
April 15, 2010
Creator:
Lavezo, Jonathan L. & Dandekar, Sushama Ashok
Object Type:
Presentation
System:
The UNT Digital Library
Quantum Mechanical Prediction of the Existence of Rare Gas-bound Species
Presentation for the 2010 University Scholars Day at the University of North Texas discussing quantum mechanical prediction of the existence of rare gas-bound species.
Date:
April 15, 2010
Creator:
Shi, Katheryn; Wilson, Angela K. & Wilson, Brent
Object Type:
Presentation
System:
The UNT Digital Library
Periodic and Molecular Modeling Study of Donor - Acceptor Interactions in (dbbpy)Pt(tdt) • TENF and [Pt(dbbpy)(tdt)]₂ • TENF
This article discusses a periodic and molecular modeling study. Supramolecular stacked materials (dbbpy)Pt(tdt)•TENF and [Pt(dbbpy)(tdt)]₂•TENF are built from (dbbpy)Pt(tdt) donors (D) with TENF acceptors (A) (TENF = 2,4,5,7-tetranitro-9-fluorenone; dbbpy = 4,4'-di-tert-butyl-2,2'-bipyridine; tdt = 3,4-toluenedithiolate).
Date:
January 15, 2010
Creator:
Cundari, Thomas R., 1964-; Chilukuri, Bhaskar; Hudson, Joshua M.; Minot, Christian; Omary, Mohammad A. & Rabaâ, Hassan
Object Type:
Article
System:
The UNT Digital Library