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  Partner: UNT College of Arts and Sciences
 Department: Chemistry
 Decade: 2000-2009
 Year: 2009
 Collection: UNT Scholarly Works
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

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

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

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
Description: Article on activity coefficients at infinite dilution of organic compounds in trihexyl(tetradecyl)phosphonium Bis(trifluoromethylsulfonyl)imide using inverse gas chromatography.
Contributing Partner: UNT College of Arts and Sciences
Arylpalladium Phosphonate Complexes as Reactive Intermediates in Phosphorus-Carbon Bond Forming Reactions

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.
Description: Article discussing research on arylpalladium phosphonate complexes as reactive intermediates in phosphorus-carbon bond forming reactions.
Contributing Partner: UNT College of Arts and Sciences
Calculations Predict a Large Inverse H/D Kinetic Isotope Effect on the Rate of Tunneling in the Ring Opening of Cyclopropylcarbinyl Radical

Calculations Predict 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., 1943-
Description: Article on calculations predicting a large inverse H/D kinetic isotope effect on the rate of tunneling in the ring opening of cyclopropylcarbinyl radical.
Contributing Partner: UNT College of Arts and Sciences
Cobalt-Dinitrogen Complexes with Weakened N-N Bonds

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.
Description: Article discussing research on cobalt-dinitrogen complexes with weakened N-N bonds.
Contributing Partner: UNT College of Arts and Sciences
Coinage Metal-Ethylene Complexes Supported by Tris(pyrazolyl)borates: A Computational Study

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

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

Comments on 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)
Description: 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.
Contributing Partner: UNT College of Arts and Sciences
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)

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)

Date: February 17, 2009
Creator: Jouyban, Abolghasem & Acree, William E. (William Eugene)
Description: This article provides comments on "Solubility of Ethyl Maltol in Aqueous Ethanol Mixtures," published in 2008 in the 'Journal of Chemical and Engineering Data.'
Contributing Partner: UNT College of Arts and Sciences
Composition of Epoxy Resin, Aliphatic Amine Curing Agent and Halogenated Amine

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

Date: April 12, 2005
Creator: Bilyeu, Bryan; Brostow, Witold, 1934- & Menard, Kevin P.
Description: Patent relating to the composition of epoxy resin, aliphatic amine curing agent and halogenated amine.
Contributing Partner: UNT College of Arts and Sciences
Conductor Structures Including Penetrable Materials

Conductor Structures Including Penetrable Materials

Date: February 24, 2004
Creator: Kelber, Jeffry A.; Lei, Jipu; Magtoto, Noel P. & Rudenja, Sergei
Description: 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.
Contributing Partner: UNT College of Arts and Sciences
Correlation and prediction of solute transfer to chloroalkanes from both water and the gas phase

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.
Description: Article discussing research on the correlation and prediction of solute transfer to chloroalkanes from both water and the gas phase.
Contributing Partner: UNT College of Arts and Sciences
Delivering Pretzels in Berlin

Delivering Pretzels in Berlin

Date: Winter 2009
Creator: Marshall, James L., 1940- & Marshall, Virginia R.
Description: 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.
Contributing Partner: UNT College of Arts and Sciences
Development of Abraham model correlations for solvation characteristics of linear alcohols

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.)
Description: This article discusses the development of Abraham model correlations for solvation characteristics of linear alcohols.
Contributing Partner: UNT College of Arts and Sciences
Effects of Different Concentrations of Poly(vinyl pyrrolidone) on the Solubility of Lamotrigine and Diazepam in Ethanol + Water Mixtures at 298.2 K

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

Date: July 28, 2009
Creator: Soltanpour, Shahla; Acree, William E. (William Eugene) & Jouyban, Abolghasem
Description: 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.
Contributing Partner: UNT College of Arts and Sciences
Enthalpy of Formation of the Cyclohexadienyl Radical and the C-H Bond Enthalpy of 1,4-Cyclohexadiene: An Experimental and Computational Re-Evaluation

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

Date: June 2, 2009
Creator: Gao, Yide; DeYonker, Nathan J.; Garrett, E. Chauncey; Wilson, Angela K.; Cundari, Thomas R., 1964- & Marshall, Paul
Description: This article discusses the enthalpy of formation of the cyclohexadienyl radical and the C-H bond enthalpy of 1,4-cyclohexadiene.
Contributing Partner: UNT College of Arts and Sciences
Enthalpy of Formation of the Cyclohexadienyl Radical and the C-H Bond Enthalpy of 1,4-Cyclohexadiene: An Experimental and Computational Re-Evaluation

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

Date: June 2, 2009
Creator: Gao, Yide; DeYonker, Nathan J.; Garrett, E. Chauncey; Wilson, Angela K.; Cundari, Thomas R., 1964- & Marshall, Paul
Description: 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.
Contributing Partner: UNT College of Arts and Sciences
Experimental and Kinetic Modeling Study of C2H4 Oxidation at High Pressure

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
Description: Article on an experimental and kinetic modeling study of C2H4 oxidation at high pressure.
Contributing Partner: UNT College of Arts and Sciences
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

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-
Description: 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.
Contributing Partner: UNT College of Arts and Sciences
Kinetic Studies of Chlorobenzene Reactions with Hydrogen Atoms and Phenyl Radicals and the Thermochemistry of 1-Chlorocyclohexadienyl Radicals

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
Description: Article on kinetic studies of chlorobenzene reactions with hydrogen atoms and phenyl radicals and the thermochemistry of 1-chlorocyclohexadienyl radicals.
Contributing Partner: UNT College of Arts and Sciences
Kinetic Studies of the Reaction of Atomic Chlorine with Chlorobenzene

Kinetic Studies of the Reaction of Atomic Chlorine with Chlorobenzene

Date: February 17, 2009
Creator: Gao, Yide & Marshall, Paul
Description: Article on kinetic studies of the reaction of atomic chlorine with chlorobenzene.
Contributing Partner: UNT College of Arts and Sciences
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

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.)
Description: 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.
Contributing Partner: UNT College of Arts and Sciences
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

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

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.
Description: 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.
Contributing Partner: UNT College of Arts and Sciences
Nikolaikirche and Apotheke zum Bären, Berlin, Germany

Nikolaikirche and Apotheke zum Bären, Berlin, Germany

Date: Spring 2009
Creator: Marshall, James L., 1940- & Marshall, Virginia R.
Description: 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.
Contributing Partner: UNT College of Arts and Sciences
Nitroxyl Radical plus Hydroxylamine Pseudo Self-Exchange Reactions: Tunneling in Hydrogen Atom Transfer

Nitroxyl Radical plus Hydroxylamine Pseudo Self-Exchange Reactions: Tunneling in Hydrogen Atom Transfer

Date: July 20, 2009
Creator: Wu, Adam; Mader, Elizabeth A.; Datta, Ayan; Hrovat, David A.; Borden, Weston T., 1943- & Mayer, James M.
Description: Article on nitroxyl radical plus hydroxylamine pseudo self-exchange reactions and tunneling in hydrogen atom transfer.
Contributing Partner: UNT College of Arts and Sciences
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