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

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.
Date: October 15, 2009
Creator: Zhang, Xue; Datta, Ayan; Hrovat, David A. & Borden, Weston T.
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Partner: UNT College of Arts and Sciences
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Solubility of Pioglitazone Hydrochloride in Aqueous Solutions of Ethanol, Propylene Glycol, and N-Methyl-2-Pyrrolidone at 298.2°K

Description: Article on the solubility of pioglitazone hydrochloride in aqueous solutions of ethanol, propylene glycol, and n-methyl-2-pyrrolidone at 298°K.
Date: October 16, 2009
Creator: Soltanpour, Shahla; Acree, William E. (William Eugene) & Jouyban, Abolghasem
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Partner: UNT College of Arts and Sciences
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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

Description: 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-
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Partner: UNT College of Arts and Sciences
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Solubility of 5-(2-Chlorophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one, 7-Chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one, and 6-(2,3-Dichlorophenyl)-1,2,4-triazine-3,5-diamine in the Mixtures of Poly(ethylene glycol) 600, Ethanol, and Water at a Temperature of 298.2 K

Description: Article on the solubility of 5-(2-chlorophenyl)-7-nitro-1, 3-dihydro-1, 4-benzodiazepin-2-one, 7-chloro-1-methyl-5-phenyl-3H-1, 4-benzodiazepin-2-one, and 6-(2,3-dichlorophenyl)-1, 2, 4,-triazine-3, 5-diamine in the mixtures of poly(ethylene glycol) 600, ethanol, and water at temperature of 298.2 K.
Date: October 23, 2009
Creator: Soltanpour, Shahla; Acree, William E. (William Eugene) & Jouyban, Abolghasem
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Partner: UNT College of Arts and Sciences
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Toward Greener Carbon Capture Technologies: A Pharmacophore-Based Approach to Predict COâ‚‚ Binding Sites in Proteins

Description: This article describes the extraction of three-dimensional functional group patterns responsible for binding COâ‚‚ from the few protein-COâ‚‚ complexes that have been characterized by X-ray crystallography.
Date: December 4, 2009
Creator: Drummond, Michael L.; Wilson, Angela K. & Cundari, Thomas R., 1964-
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Partner: UNT College of Arts and Sciences
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Delivering Pretzels in Berlin

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.
Date: Winter 2009
Creator: Marshall, James L., 1940- & Marshall, Virginia R.
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Partner: UNT College of Arts and Sciences
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Periodic and Molecular Modeling Study of Donor - Acceptor Interactions in (dbbpy)Pt(tdt) • TENF and [Pt(dbbpy)(tdt)]₂ • TENF

Description: 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. & RabaĂ¢, Hassan
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Partner: UNT College of Arts and Sciences
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Development of Abraham model correlations for solvation characteristics of secondary and branched alcohols

Description: This article discusses the development of Abraham model correlations for solvation characteristics of secondary and branched alcohols.
Date: January 25, 2010
Creator: Sprunger, Laura M.; Achi, Sai S.; Pointer, Racheal; Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.)
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Partner: UNT College of Arts and Sciences
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Development of correlations for describing solute transfer into acyclic alcohol solvents based on the Abraham model and fragment-specific equation coefficients

Description: This article discusses the development of correlations for describing solute transfer into acyclic alcohol solvents based on the Abraham model and fragment-specific equation coefficients.
Date: January 25, 2010
Creator: Sprunger, Laura M.; Achi, Sai S.; Abraham, M. H. (Michael H.) & Acree, William E. (William Eugene)
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Partner: UNT College of Arts and Sciences
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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

Description: 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.
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Partner: UNT College of Arts and Sciences
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Study of Ether-, Alcohol-, or Cyano-Functionalized Ionic Liquids Using Inverse Gas Chromatography

Description: This article discusses the study of ether-, alcohol, or cyano-functionalized ionic liquids using inverse gas chromatography.
Date: March 11, 2010
Creator: Revelli, Anne-Laure; Mutelet, Fabrice; Jaubert, Jean-Noël; Garcia-Martinez, Marina; Sprunger, Laura M.; Acree, William E. (William Eugene) et al.
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Partner: UNT College of Arts and Sciences
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Rediscovery of the Elements: Madam Curie

Description: Article describing the career of Marie Curie and the discovery of polonium and radium. Tourist information regarding the areas where the Curies were most active are included.
Date: Spring 2010
Creator: Marshall, James L., 1940- & Marshall, Virginia R.
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Partner: UNT College of Arts and Sciences
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Youth in Apuseni Mountains, Romania, Near the Discovery Site of Tellurium

Description: Front cover of the Spring 2010 issue of The Hexagon, featuring an adolescent boy wearing a sweater, corduroy pants, and boots while holding a lamb across his shoulders. He looks at the camera while standing in a bare patch of earth with grass and fallen branches behind him. To his left appear three round pictures relating to this issue's articles. The inside cover contains a table of contents, staff listings, and an editorial.
Date: Spring 2010
Creator: Marshall, James L., 1940- & Marshall, Virginia R.
Item Type: Refine your search to only Article
Partner: UNT College of Arts and Sciences
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