Electronic and Transport Properties of Artificial Gold Chains (open access)

Electronic and Transport Properties of Artificial Gold Chains

Article on electronic and transport properties of artificial gold chains.
Date: August 27, 2004
Creator: Calzolari, Arrigo; Cavazzoni, Carlo & Buongiorno Nardelli, Marco
Object Type: Article
System: The UNT Digital Library
Band Structure and Quantum Conductance of Nanostructures from Maximally Localized Wannier Functions: The Case of Functionalized Carbon Nanotubes (open access)

Band Structure and Quantum Conductance of Nanostructures from Maximally Localized Wannier Functions: The Case of Functionalized Carbon Nanotubes

Article on band structure and quantum conductance of nanostructures from maximally localized Wannier functions.
Date: August 12, 2005
Creator: Lee, Young-Su; Buongiorno Nardelli, Marco & Marzari, Nicola
Object Type: Article
System: The UNT Digital Library
Rate Constant and Branching Fraction for the NH₂ + NO₂ Reaction (open access)

Rate Constant and Branching Fraction for the NH₂ + NO₂ Reaction

Article on rate constant and branching fraction for the NH₂ + NO₂ reaction.
Date: August 22, 2013
Creator: Klippenstein, Stephen J.; Harding, Lawrence B.; Glarborg, Peter; Gao, Yide; Hu, Huanzhen & Marshall, Paul
Object Type: Article
System: The UNT Digital Library

Oxidation of Reduced Sulfur Species: Carbon Disulfide

Article on the oxidation of reduced sulfur species and carbon disulfide.
Date: August 4, 2014
Creator: Glarborg, Peter; Halaburt, Birgitte; Marshall, Paul; Guillory, Adrian; Troe, Jürgen; Thellefsen, Morten et al.
Object Type: Article
System: The UNT Digital Library
Descriptors for Pentane-2,4-dione and Its Derivatives (open access)

Descriptors for Pentane-2,4-dione and Its Derivatives

This article uses equations for partition coefficients of compounds from water and the gas phase to various solvents to obtain descriptors for pentane-2,4-dione and 21 of its derivatives.
Date: August 19, 2017
Creator: Abraham, M. H. (Michael H.) & Acree, William E. (William Eugene)
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
Inter- and Intramolecular Experimental and Calculated Equilibrium Isotope Effects for (silox)₂(ᵗBu₃SiND)TiR + RH (silox = ᵗBu₃SiO): Inferred Kinetic Isotope Effects for RH/D Addition to Transient (silox)₂Ti=NSiᵗBu₃ (open access)

Inter- and Intramolecular Experimental and Calculated Equilibrium Isotope Effects for (silox)₂(ᵗBu₃SiND)TiR + RH (silox = ᵗBu₃SiO): Inferred Kinetic Isotope Effects for RH/D Addition to Transient (silox)₂Ti=NSiᵗBu₃

This article discusses inter- and intramolecular experimental and calculated equilibrium isotope effects.
Date: August 23, 2000
Creator: Slaughter, LeGrande M.; Wolczanski, Peter T.; Klinckman, Thomas R. & Cundari, Thomas R., 1964-
Object Type: Article
System: The UNT Digital Library
Stepwise Reduction of Dinitrogen Bond Order by a Low-Coordinate Iron Complex (open access)

Stepwise Reduction of Dinitrogen Bond Order by a Low-Coordinate Iron Complex

This article discusses stepwise reduction of dinitrogen bond order by a low-coordinate iron complex.
Date: August 24, 2001
Creator: Smith, Jeremy M.; Lachicotte, Rene J.; Pittard, Karl A.; Cundari, Thomas R., 1964-; Lukat-Rodgers, Gudrun; Rodgers, Kenton R. et al.
Object Type: Article
System: The UNT Digital Library
Reductive Elimination of Alkylamines from Low-Valent, Alkylpalladium(II) Amido Complexes (open access)

Reductive Elimination of Alkylamines from Low-Valent, Alkylpalladium(II) Amido Complexes

This article discusses reductive elimination of alkylamines from low-valent, alkylpalladium(II) amido complexes.
Date: August 30, 2012
Creator: Hanley, Patrick S.; Marquard, Seth L.; Cundari, Thomas R., 1964- & Hartwig, John F.
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 (open access)

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
[Review] Deciphering the Chemical Code: Bonding Across the Periodic Table (open access)

[Review] Deciphering the Chemical Code: Bonding Across the Periodic Table

This article reviews the book "Deciphering the Chemical Code: Bonding Across the Periodic Table," by Nicolaos D. Epiotis.
Date: August 20, 1997
Creator: Cundari, Thomas R., 1964-
Object Type: Review
System: The UNT Digital Library
Increasing the Equilibrium Solubility of Meloxicam in Aqueous Media by Using Dimethyl Sulfoxide as a Cosolvent: Correlation, Dissolution Thermodynamics and Preferential Solvation (open access)

Increasing the Equilibrium Solubility of Meloxicam in Aqueous Media by Using Dimethyl Sulfoxide as a Cosolvent: Correlation, Dissolution Thermodynamics and Preferential Solvation

This article studies the solubility of meloxicam in dimethyl sulfoxide (DMSO)-aqueous solvent systems at several temperatures from 273.15 to 313.15 K to expand the solubility database about analgesic drugs in mixed solvents.
Date: August 12, 2022
Creator: Tinjacá, Darío; Martínez, Fleming; Almanza, Ovidio A.; Peña, María Á.; Jouyban, Abolghasem & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Solubility of Pyrene in Ternary Propanol + Butanol + 2,2,4-Trimethylpentane Solvent Mixtures at 299.15 K (open access)

Solubility of Pyrene in Ternary Propanol + Butanol + 2,2,4-Trimethylpentane Solvent Mixtures at 299.15 K

Article on the solubility of pyrene in ternary propanol + butanol + 2,2,4-trimethylpentane solvent mixtures at 299.15 K.
Date: August 31, 2001
Creator: Debase, Ebun M. & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Prediction of Partition Coefficients of Organic Compounds in Ionic Liquids Using a Temperature-Dependent Linear Solvation Energy Relationship with Parameters Calculated through a Group Contribution Method (open access)

Prediction of Partition Coefficients of Organic Compounds in Ionic Liquids Using a Temperature-Dependent Linear Solvation Energy Relationship with Parameters Calculated through a Group Contribution Method

This article discusses the prediction of partition coefficients of organic compounds in ionic liquids.
Date: August 22, 2011
Creator: Mutelet, Fabrice; Ortega-Villa, Virginia; Moïse, Jean-Charles; Jaubert, Jean-Noël & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Solubility of Pyrene in Ternary Alcohol + Cyclohexane + Heptane Solvent Mixtures at 299.15 K (open access)

Solubility of Pyrene in Ternary Alcohol + Cyclohexane + Heptane Solvent Mixtures at 299.15 K

Article on the solubility of pyrene in ternary alcohol + cyclohexane + heptane solvent mixtures at 299.15 K.
Date: August 11, 2001
Creator: Debase, Ebun M. & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Solubility of Anthracene in Ternary 1,4-Dioxane + Alcohol + Heptane Solvent Mixtures at 298.15 K (open access)

Solubility of Anthracene in Ternary 1,4-Dioxane + Alcohol + Heptane Solvent Mixtures at 298.15 K

Article on the solubility of anthracene in ternary 1,4-dioxane + alcohol + heptane solvent mixtures at 298.15 K.
Date: August 10, 2000
Creator: Pribyla, Karen J.; Spurgin, Michael A.; Chuca, Ivette & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Partition Coefficients of Organic Compounds in Four New Tetraalkylammonium Bis(trifluoromethylsulfonyl)imide Ionic Liquids Using Inverse Gas Chromatography (open access)

Partition Coefficients of Organic Compounds in Four New Tetraalkylammonium Bis(trifluoromethylsulfonyl)imide Ionic Liquids Using Inverse Gas Chromatography

This article discusses partition coefficients of organic compounds in four new tetraalkylammonium bis(trifluoromethylsulfonyl)imide ionic liquids using inverse gas chromatography.
Date: August 18, 2011
Creator: Acree, William E. (William Eugene); Baker, Gary A.; Mutelet, Fabrice & Moïse, Jean-Charles
Object Type: Article
System: The UNT Digital Library
Solubility of Sodium Acetate in Ternary Mixtures of Methanol, 1-Propanol, Acetonitrile, and Water at 298.2 K (open access)

Solubility of Sodium Acetate in Ternary Mixtures of Methanol, 1-Propanol, Acetonitrile, and Water at 298.2 K

Article on the solubility of sodium acetate in ternary mixtures of methanol, 1-propanol, acetonitrile, and water at 298.2 K.
Date: August 4, 2014
Creator: Soleymani, Jafar; Kenndler, Ernst; Acree, William E. (William Eugene) & Jouyban, Abolghasem
Object Type: Article
System: The UNT Digital Library
High-Accuracy Coupled-Cluster Computations of Bond Dissociation Energies in SH, H₂S, and H₂O (open access)

High-Accuracy Coupled-Cluster Computations of Bond Dissociation Energies in SH, H₂S, and H₂O

Article on high-accuracy coupled-cluster computations of bond dissociation energies in SH, H2S, and H2O.
Date: August 1, 2002
Creator: Peebles, Lynda R. & Marshall, Paul
Object Type: Article
System: The UNT Digital Library
Abraham Model Correlations for Solute Transfer into 2-Ethoxyethanol from Water and from the Gas Phase (open access)

Abraham Model Correlations for Solute Transfer into 2-Ethoxyethanol from Water and from the Gas Phase

Article on Abraham model correlations for solute transfer into 2-ethoxyethanol from water and from the gas phase.
Date: August 1, 2015
Creator: Sedov, Igor A.; Stolov, Mikhail; Hart, Erin; Grover, Damini; Zettl, Heidi; Koshevarova, Victoria et al.
Object Type: Article
System: The UNT Digital Library
Solubility of Anthracene in Quaternary Solvent Mixtures of 2,2,4-Trimethylpentane + 2-Propanone + Methanol + Alcohols at 298.15 K (open access)

Solubility of Anthracene in Quaternary Solvent Mixtures of 2,2,4-Trimethylpentane + 2-Propanone + Methanol + Alcohols at 298.15 K

Article on the solubility of anthracene in quaternary solvent mixtures of 2,2,4-trimethylpentane + 2-propanone + methanol + alcohols at 298.15 K.
Date: August 23, 2008
Creator: Shayanfar, Ali; Soltanpour, Shahla; Jabbaribar, Farnaz; Hamidi, Ali A.; Acree, William E. (William Eugene) & Jouyban, Abolghasem
Object Type: Article
System: The UNT Digital Library
Solubility of Anthracene in C1-C3 Alcohols from (298.2 to 333.2) K and Their Mixtures with 2-Propanone at 298.2 K (open access)

Solubility of Anthracene in C1-C3 Alcohols from (298.2 to 333.2) K and Their Mixtures with 2-Propanone at 298.2 K

Article discussing the solubility of anthracene in C1-C3 alcohols from (298.2 to 333.2) K and their mixtures with 2-propanone at 298.2 K.
Date: August 25, 2010
Creator: Jouyban, Abolghasem; Manzoori, Jamshid L.; Soleymani, Jafar; Panahi-Azar, Vahid; Fakhree, Mohammad Amin Abolghassemi; Ahmadian, Somaieh et al.
Object Type: Article
System: The UNT Digital Library
Solubility in Binary Solvent Systems: 8. Estimation of Binary Alkane plus p-Dioxane Solvent Nonideality from Measured Anthracene Solubilities (open access)

Solubility in Binary Solvent Systems: 8. Estimation of Binary Alkane plus p-Dioxane Solvent Nonideality from Measured Anthracene Solubilities

Article on solubility in binary solvent systems and the estimation of binary alkane plus p-dioxane solvent nonideality from measured anthracene solubilities.
Date: August 1, 1987
Creator: Procyk, Alexander D.; Bissell, Margaret; Street, Kenneth W. & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
In silico prediction of drug solubility in water-ethanol mixtures using Jouyban-Acree model (open access)

In silico prediction of drug solubility in water-ethanol mixtures using Jouyban-Acree model

Article on the in silico prediction of drug solubility in water-ethanol mixtures using Jouyban-Acree model.
Date: August 25, 2006
Creator: Jouyban, Abolghasem & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library