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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-
System:
The UNT Digital Library
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
System:
The UNT Digital Library
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.
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
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.
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
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.
System:
The UNT Digital Library
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.
System:
The UNT Digital Library
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-
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
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)
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)
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)
System:
The UNT Digital Library
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.
System:
The UNT Digital Library
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.
System:
The UNT Digital Library
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.)
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
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
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
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
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
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
System:
The UNT Digital Library
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
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
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-
System:
The UNT Digital Library
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
System:
The UNT Digital Library
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
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
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.)
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
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.
System:
The UNT Digital Library
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.
System:
The UNT Digital Library
Nitroxyl Radical plus Hydroxylamine Pseudo Self-Exchange Reactions: Tunneling in Hydrogen Atom Transfer
Article on nitroxyl radical plus hydroxylamine pseudo self-exchange reactions and tunneling in hydrogen atom transfer.
Date:
July 20, 2009
Creator:
Wu, Adam; Mader, Elizabeth A.; Datta, Ayan; Hrovat, David A.; Borden, Weston T. & Mayer, James M.
System:
The UNT Digital Library
Partition Coefficients of Organic Compounds in New Imidazolium and Tetralkylammonium Based Ionic Liquids Using Inverse Gas Chromatography
This article discusses partition coefficients of organic compounds in new imidazolium and tetralkylammonium based ionic liquids using inverse gas chromatography.
Date:
September 11, 2009
Creator:
Mutelet, Fabrice; Revelli, Anne-Laure; Jaubert, Jean-Noël; Sprunger, Laura M.; Baker, Gary A. & Acree, William E. (William Eugene)
System:
The UNT Digital Library