Degree Department

Activation of Carbon-Hydrogen and Hydrogen-Hydrogen Bonds by Copper-Nitrenes: A Comparison of Density Functionality Theory with Single- and Multireference Correlation Consistent Composite Approaches (open access)

Activation of Carbon-Hydrogen and Hydrogen-Hydrogen Bonds by Copper-Nitrenes: A Comparison of Density Functionality Theory with Single- and Multireference Correlation Consistent Composite Approaches

Article on a comparison of density functional theory with single- and multireference correlation consistent composite approaches (ccCA).
Date: October 19, 2009
Creator: Tekarli, Sammer M.; Williams, T. Gavin & Cundari, Thomas R., 1964-
Object Type: Article
System: The UNT Digital Library
Activity Coefficients at Infinite Dilution of Organic Compounds in Trihexyl(tetradecyl)phosphonium Bis(trifluoromethylsulfonyl)imide Using Inverse Gas Chromatography (open access)

Activity Coefficients at Infinite Dilution of Organic Compounds in Trihexyl(tetradecyl)phosphonium Bis(trifluoromethylsulfonyl)imide Using Inverse Gas Chromatography

Article on activity coefficients at infinite dilution of organic compounds in trihexyl(tetradecyl)phosphonium Bis(trifluoromethylsulfonyl)imide using inverse gas chromatography.
Date: February 2, 2009
Creator: Revelli, Anne-Laure; Sprunger, Laura M.; Gibbs, Jennifer; Acree, William E. (William Eugene); Baker, Gary A. & Mutelet, Fabrice
Object Type: Article
System: The UNT Digital Library
Arylpalladium Phosphonate Complexes as Reactive Intermediates in Phosphorus-Carbon Bond Forming Reactions (open access)

Arylpalladium Phosphonate Complexes as Reactive Intermediates in Phosphorus-Carbon Bond Forming Reactions

Article discussing research on arylpalladium phosphonate complexes as reactive intermediates in phosphorus-carbon bond forming reactions.
Date: January 21, 2009
Creator: Kohler, Mark C.; Grimes, Thomas V.; Wang, Xiaoping; Cundari, Thomas R., 1964- & Stockland, Robert A., Jr.
Object Type: Article
System: The UNT Digital Library
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 (open access)

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

Article on a proposed experimental test of the prediction of a triplet ground state for (CO)4.
Date: August 18, 2009
Creator: Zhou, Xin; Hrovat, David A. & Borden, Weston T.
Object Type: Article
System: The UNT Digital Library
Calculations Predict a Large Inverse H/D Kinetic Isotope Effect on the Rate of Tunneling in the Ring Opening of Cyclopropylcarbinyl Radical (open access)

Calculations Predict a Large Inverse H/D Kinetic Isotope Effect on the Rate of Tunneling in the Ring Opening of Cyclopropylcarbinyl Radical

Article on calculations predicting a large inverse H/D kinetic isotope effect on the rate of tunneling in the ring opening of cyclopropylcarbinyl radical.
Date: October 15, 2009
Creator: Zhang, Xue; Datta, Ayan; Hrovat, David A. & Borden, Weston T.
Object Type: Article
System: The UNT Digital Library
Cobalt-Dinitrogen Complexes with Weakened N-N Bonds (open access)

Cobalt-Dinitrogen Complexes with Weakened N-N Bonds

Article discussing research on cobalt-dinitrogen complexes with weakened N-N bonds.
Date: June 19, 2009
Creator: Ding, Keying; Pierpont, Aaron W.; Brennessel, William W.; Lukat-Rodgers, Gudrun; Rodgers, Kenton R.; Cundari, Thomas R., 1964- et al.
Object Type: Article
System: The UNT Digital Library
Coinage Metal-Ethylene Complexes Supported by Tris(pyrazolyl)borates: A Computational Study (open access)

Coinage Metal-Ethylene Complexes Supported by Tris(pyrazolyl)borates: A Computational Study

Article discussing a computational study of coinage metal-ethylene complexes supported by tris(pyrazolyl)borates.
Date: February 18, 2009
Creator: Kazi, Abul B.; Dias, H. V. Rasika; Tekarli, Sammer M.; Morello, Glenn R. & Cundari, Thomas R., 1964-
Object Type: Article
System: The UNT Digital Library
Comments on Solid-Liquid Phase Equilibrium and Phase Diagram for the Ternary o-Nitrobenzoic Acid + m-Nitrobenzoic Acid + Ethanol System (open access)

Comments on Solid-Liquid Phase Equilibrium and Phase Diagram for the Ternary o-Nitrobenzoic Acid + m-Nitrobenzoic Acid + Ethanol System

Article commenting on a paper published in 2008 in the Journal of Chemical and Engineering Data discussing solid-liquid phase equilibrium and phase diagram for the ternary o-nitrobenzoic acid + m-nitrobenzoic acid + ethanol system.
Date: June 5, 2009
Creator: Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Comments on "Solubility of Ethyl Maltol in Aqueous Ethanol Mixtures" (Liu, B.-S.; Liu, R.-J.; Hu, Y.-Q.; Hu, Q.-F. J. Chem. Eng. Data 2008, 53, 2712-2714) (open access)

Comments on "Solubility of Ethyl Maltol in Aqueous Ethanol Mixtures" (Liu, B.-S.; Liu, R.-J.; Hu, Y.-Q.; Hu, Q.-F. J. Chem. Eng. Data 2008, 53, 2712-2714)

This article provides comments on "Solubility of Ethyl Maltol in Aqueous Ethanol Mixtures," published in 2008 in the 'Journal of Chemical and Engineering Data.'
Date: February 17, 2009
Creator: Jouyban, Abolghasem & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Composition of Epoxy Resin, Aliphatic Amine Curing Agent and Halogenated Amine (open access)

Composition of Epoxy Resin, Aliphatic Amine Curing Agent and Halogenated Amine

Patent relating to the composition of epoxy resin, aliphatic amine curing agent and halogenated amine.
Date: April 12, 2005
Creator: Bilyeu, Bryan; Brostow, Witold, 1934- & Menard, Kevin P.
Object Type: Patent
System: The UNT Digital Library
Conductor Structures Including Penetrable Materials (open access)

Conductor Structures Including Penetrable Materials

Patent relating to conductors used in electronic components and related fabrication methods, and more particularly to metal conductors for use in electronic components created by deposition of metals and related fabrication methods.
Date: February 24, 2004
Creator: Kelber, Jeffry A.; Lei, Jipu; Magtoto, Noel P. & Rudenja, Sergei
Object Type: Patent
System: The UNT Digital Library
Correlation and prediction of solute transfer to chloroalkanes from both water and the gas phase (open access)

Correlation and prediction of solute transfer to chloroalkanes from both water and the gas phase

Article discussing research on the correlation and prediction of solute transfer to chloroalkanes from both water and the gas phase.
Date: July 25, 2009
Creator: Sprunger, Laura M.; Achi, Sai S.; Acree, William E. (William Eugene); Abraham, M. H. (Michael H.); Hoekman, David & Leo, Albert J.
Object Type: Article
System: The UNT Digital Library
Delivering Pretzels in Berlin (open access)

Delivering Pretzels in Berlin

Front cover of the Winter 2009 issue of The Hexagon, featuring a man in a Berlin shirt riding a bicycle laden with large pretzels. A small dog on a leash follows alongside of him. The inside cover has a table of contents, a list of staff, and an editorial.
Date: Winter 2009
Creator: Marshall, James L., 1940- & Marshall, Virginia R.
Object Type: Article
System: The UNT Digital Library
Development of Abraham model correlations for solvation characteristics of linear alcohols (open access)

Development of Abraham model correlations for solvation characteristics of linear alcohols

This article discusses the development of Abraham model correlations for solvation characteristics of linear alcohols.
Date: December 15, 2009
Creator: Sprunger, Laura M.; Achi, Sai S.; Pointer, Racheal; Blake-Taylor, Brooke H.; Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.)
Object Type: Article
System: The UNT Digital Library
Effects of Different Concentrations of Poly(vinyl pyrrolidone) on the Solubility of Lamotrigine and Diazepam in Ethanol + Water Mixtures at 298.2 K (open access)

Effects of Different Concentrations of Poly(vinyl pyrrolidone) on the Solubility of Lamotrigine and Diazepam in Ethanol + Water Mixtures at 298.2 K

Article on the effects of different concentrations of poly(vinyl pyrrolidone) on the solubility of lamotrigine and diazepam in ethanol and water mixtures at 298.2 K.
Date: July 28, 2009
Creator: Soltanpour, Shahla; Acree, William E. (William Eugene) & Jouyban, Abolghasem
Object Type: Article
System: The UNT Digital Library
Enthalpy of Formation of the Cyclohexadienyl Radical and the C-H Bond Enthalpy of 1,4-Cyclohexadiene: An Experimental and Computational Re-Evaluation (open access)

Enthalpy of Formation of the Cyclohexadienyl Radical and the C-H Bond Enthalpy of 1,4-Cyclohexadiene: An Experimental and Computational Re-Evaluation

This article discusses the enthalpy of formation of the cyclohexadienyl radical and the C-H bond enthalpy of 1,4-cyclohexadiene.
Date: June 2, 2009
Creator: Gao, Yide; DeYonker, Nathan J.; Garrett, E. Chauncey; Wilson, Angela K.; Cundari, Thomas R., 1964- & Marshall, Paul
Object Type: Article
System: The UNT Digital Library
Enthalpy of Formation of the Cyclohexadienyl Radical and the C-H Bond Enthalpy of 1,4-Cyclohexadiene: An Experimental and Computational Re-Evaluation (open access)

Enthalpy of Formation of the Cyclohexadienyl Radical and the C-H Bond Enthalpy of 1,4-Cyclohexadiene: An Experimental and Computational Re-Evaluation

Article on an experimental and computational re-evaluation and the enthalpy of formation of the cyclohexadienyl radical and the C-H bond enthalpy of 1,4-cyclohexadiene.
Date: June 2, 2009
Creator: Gao, Yide; DeYonker, Nathan J.; Garrett, E. Chauncey; Wilson, Angela K.; Cundari, Thomas R., 1964- & Marshall, Paul
Object Type: Article
System: The UNT Digital Library
Experimental and Kinetic Modeling Study of C2H4 Oxidation at High Pressure (open access)

Experimental and Kinetic Modeling Study of C2H4 Oxidation at High Pressure

Article on an experimental and kinetic modeling study of C2H4 oxidation at high pressure.
Date: 2009
Creator: Lopez, Jorge Gimenez; Rasmussen, Christian Lund; Alzueta, María U.; Gao, Yide; Marshall, Paul & Glarborg, Peter
Object Type: Article
System: The UNT Digital Library
Group-Transfer Reactions of Nickel-Carbene and -Nitrene Complexes with Organoazides and Nitrous Oxide that Form New C=N, C=O, and N=N Bonds (open access)

Group-Transfer Reactions of Nickel-Carbene and -Nitrene Complexes with Organoazides and Nitrous Oxide that Form New C=N, C=O, and N=N Bonds

This article discusses group-transfer reactions of nickel-carbene and -nitrene complexes with organoazides and nitrous oxide that form new C=N, C=O, and N=N bonds.
Date: August 19, 2009
Creator: Harrold, Nicole D.; Waterman, Rory; Hillhouse, Gregory L. & Cundari, Thomas R., 1964-
Object Type: Article
System: The UNT Digital Library
Kinetic Studies of Chlorobenzene Reactions with Hydrogen Atoms and Phenyl Radicals and the Thermochemistry of 1-Chlorocyclohexadienyl Radicals (open access)

Kinetic Studies of Chlorobenzene Reactions with Hydrogen Atoms and Phenyl Radicals and the Thermochemistry of 1-Chlorocyclohexadienyl Radicals

Article on kinetic studies of chlorobenzene reactions with hydrogen atoms and phenyl radicals and the thermochemistry of 1-chlorocyclohexadienyl radicals.
Date: 2009
Creator: Gao, Yide & Marshall, Paul
Object Type: Article
System: The UNT Digital Library
Kinetic Studies of the Reaction of Atomic Chlorine with Chlorobenzene (open access)

Kinetic Studies of the Reaction of Atomic Chlorine with Chlorobenzene

Article on kinetic studies of the reaction of atomic chlorine with chlorobenzene.
Date: February 17, 2009
Creator: Gao, Yide & Marshall, Paul
Object Type: Article
System: The UNT Digital Library
Linear Free Energy Relationship Correlations for Enthalpies of Solvation of Organic Solutes into Room-Temperature Ionic Liquids Based on the Abraham Model with Ion-Specific Equation Coefficients (open access)

Linear Free Energy Relationship Correlations for Enthalpies of Solvation of Organic Solutes into Room-Temperature Ionic Liquids Based on the Abraham Model with Ion-Specific Equation Coefficients

Article discussing the linear free energy relationship correlations for enthalpies of solvation of organic solutes into room-temperature ionic liquids based on the Abraham model with ion-specific equation coefficients.
Date: August 3, 2009
Creator: Sprunger, Laura M.; Achi, Sai S.; Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.)
Object Type: Article
System: The UNT Digital Library
Linear Free Energy Relationship Correlations for Room Temperature Ionic Liquids: Revised Cation-Specific and Anion-Specific Equation Coefficients for Predictive Applications Covering a Much Larger Area of Chemical Space (open access)

Linear Free Energy Relationship Correlations for Room Temperature Ionic Liquids: Revised Cation-Specific and Anion-Specific Equation Coefficients for Predictive Applications Covering a Much Larger Area of Chemical Space

Article discussing linear free energy relationship correlations for room temperature ionic liquids and revised cation-specific and anion-specific equation coefficients for predictive applications covering a much larger area of chemical space.
Date: March 23, 2009
Creator: Sprunger, Laura M.; Gibbs, Jennifer; Proctor, Amy; Acree, William E. (William Eugene); Abraham, M. H. (Michael H.); Meng, Yunjing et al.
Object Type: Article
System: The UNT Digital Library
Nikolaikirche and Apotheke zum Bären, Berlin, Germany (open access)

Nikolaikirche and Apotheke zum Bären, Berlin, Germany

Front cover of volume 100, issue 1 of The Hexagon, featuring the multistory brick and stone church, Nikolaikirche. The church's first several floors are comprised of older stone work while the upper stories use newer red brick. People and vehicles are on the street near the church, and a row of buildings can be seen in the background to the left. The magazine's logo is printed over the church's bluish roof spires. The inside cover contains a table of contents, staff credits, and an editorial.
Date: Spring 2009
Creator: Marshall, James L., 1940- & Marshall, Virginia R.
Object Type: Article
System: The UNT Digital Library