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Comments Regarding "Density, Speed of Sound, Refractive Index and Derivatives Properties of the Binary Mixture N-Hexane + N-Heptane (or N-Octane or N-Nonane), T = 288.15 - 313.15 K"

This article offers comment on "Density, speed of sound, refractive index and derivatives properties of the binary mixture N-Hexane + N-Heptane (or N-Octane or N-Nonane), T=288.15 - 313.15 K."
Date: April 9, 2013
Creator: Acree, William E. (William Eugene) & Stephens, Timothy W.
Object Type: Article
System: The UNT Digital Library
Comments Regarding "Study of Molecular Interactions in Binary Mixtures of Formamide with 2-Methoxyethanol and 2-Ethoxyethanol at Varying Temperatures" (open access)

Comments Regarding "Study of Molecular Interactions in Binary Mixtures of Formamide with 2-Methoxyethanol and 2-Ethoxyethanol at Varying Temperatures"

This article provides comments on "Study of Molecular Interactions in Binary Mixtures of Formamide with 2-Methoxyethanol and 2-Ethoxyethanol at Varying Temperatures," published in 'Physics and Chemistry of Liquids,' 2013.
Date: June 3, 2013
Creator: Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Saguaro Cactus and Joshua Trees (open access)

Saguaro Cactus and Joshua Trees

Front cover of the spring 2013 issue of The Hexagon, which features an image of a saguaro cactus and joshua trees at a location in northwest Arizona along highway US 93. The inside cover contains a table of contents, a staff list, an editorial, and details about the cover photograph.
Date: Spring 2013
Creator: Marshall, James L., 1940- & Marshall, Virginia R.
Object Type: Article
System: The UNT Digital Library
Rediscovery of the Elements: Rhenium and Technetium (open access)

Rediscovery of the Elements: Rhenium and Technetium

Article describing the discovery of rhenium and technetium by Walter Karl Friedrich Noddack and Ida Eva Noddack-Tacke. Information regarding pertinent locations is included.
Date: Winter 2013
Creator: Marshall, James L., 1940- & Marshall, Virginia R.
Object Type: Article
System: The UNT Digital Library
Rediscovery of the Elements: Columbium and Tantalum (open access)

Rediscovery of the Elements: Columbium and Tantalum

Article describing the discovery of columbium and tantalum. Tourist information regarding locations significant to these discoveries are included.
Date: Summer 2013
Creator: Marshall, James L., 1940- & Marshall, Virginia R.
Object Type: Article
System: The UNT Digital Library
Rediscovery of the Elements: Niobium and Tantalum (open access)

Rediscovery of the Elements: Niobium and Tantalum

Article describing the discovery of niobium and tantalum. Tourist information regarding locations significant to these discoveries are included.
Date: Autumn 2013
Creator: Marshall, James L., 1940- & Marshall, Virginia R.
Object Type: Article
System: The UNT Digital Library
Synthetic and Structural Chemistry of Ligand-substituted Triosmium Clusters and a Rhenium(i) Complex (open access)

Synthetic and Structural Chemistry of Ligand-substituted Triosmium Clusters and a Rhenium(i) Complex

The reaction of 2-[(diphenylphosphino)methyl]-6-methylpyridine (PN) with Os3(CO)12-n(MeCN)n [where n = 0 (1), 1 (2), 2 (3)] has been investigated. Os3(CO)12 reacts with PN in the presence of Me3NO to afford the clusters Os3(CO)11(1-PN) (4) and 1,2-Os3(CO)10(1-PN)2 (5). X-ray diffraction analyses confirm the equatorial coordination of the phosphine(s) in 4 and 5, with the two phosphines in the latter cluster exhibiting a 1,2-trans orientation about the Os-Os vector that contains the two ligands. Treatment of the MeCN-substituted cluster Os3(CO)11(MeCN) and PN (1:1 ratio) in CH2Cl2 gives clusters 4 and 5, in addition to HOs3(η1-Cl)(CO)10(1-PN) (6) as a result of competitive activation of the reaction solvent. Cluster 6 contains 48e- and the diffraction structure reveals the presence of axial chloride and equatorial phosphine ligands which are located on adjacent osmium atoms. The bridging hydride ligand in 6 spans the Cl,P-substituted Os-Os vector. The reaction of Os3(CO)10(MeCN)2 with PN furnishes 5, 6, and 1,1-Os3(CO)10(2-PN) (7) in yields that are dependent on the reagent stoichiometry and reaction solvent. The solid-state structure of 7 confirms the chelation of the PN ligand to a single osmium atom via the pyridine and phosphine moieties at axial and equatorial sites, respectively. The bonding in 7 relative to other …
Date: August 2013
Creator: Lin, Chen-Hao
Object Type: Thesis or Dissertation
System: The UNT Digital Library
Accurate quantum chemical energies for tetrapeptide conformations: why MP2 data with an insufficient basis set should be handled with caution (open access)

Accurate quantum chemical energies for tetrapeptide conformations: why MP2 data with an insufficient basis set should be handled with caution

This article discusses potential problems if the widely-applied MP2 approach is used in such situations with basis sets of insufficient size.
Date: January 29, 2013
Creator: Goerigk, Lars; Karton, Amir; Martin, Jan M. L. & Radom, Leo
Object Type: Article
System: The UNT Digital Library
What Can We Learn about Dispersion from the Conformer Surface of n-Pentane? (open access)

What Can We Learn about Dispersion from the Conformer Surface of n-Pentane?

This article maps the torsional surface of n-pentane to 10-degree resolution at the CCSD(T)-F12 level near the basis set limit.
Date: February 8, 2013
Creator: Martin, Jan M. L.
Object Type: Article
System: The UNT Digital Library
Gas Phase Kinetics and Equilibrium of Allyl Radical Reactions with NO and NO₂ (open access)

Gas Phase Kinetics and Equilibrium of Allyl Radical Reactions with NO and NO₂

Article on gas phase kinetics and equilibrium of allyl radical reactions with NO and NO₂.
Date: January 11, 2013
Creator: Rissanen, Matti P.; Amedro, Damien; Krasnoperov, Lev N.; Marshall, Paul & Timonen, Raimo S.
Object Type: Article
System: The UNT Digital Library
The Melatonin Conformer Space: Benchmark and Assessment of Wave Function and DFT Methods for a Paradigmatic Biological and Pharmacological Molecule (open access)

The Melatonin Conformer Space: Benchmark and Assessment of Wave Function and DFT Methods for a Paradigmatic Biological and Pharmacological Molecule

This article describes reference quality conformational energies for the 52 unique conformers of melatonin by means of explicitly correlated ab initio methods as well as the ccCA composite method.
Date: December 21, 2012
Creator: Fogueri, Uma R.; Kozuch, Sebastian; Karton, Amir & Martin, Jan M. L.
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
A Neoteric Neodymium Model: Ground and Excited Electronic State Analysis of NdF²⁺ (open access)

A Neoteric Neodymium Model: Ground and Excited Electronic State Analysis of NdF²⁺

This article studies neodymium monofluoride dictation as a model of the Nd-F bond in NDFₓ.
Date: May 10, 2013
Creator: Schoendorff, George; South, Christopher & Wilson, Angela K.
Object Type: Article
System: The UNT Digital Library
Cooperative Carbon Capture Capabilities in Multivariate MOFs Decorated with Amino Acid Side Chains: A Computational Study (open access)

Cooperative Carbon Capture Capabilities in Multivariate MOFs Decorated with Amino Acid Side Chains: A Computational Study

This article discusses cooperative carbon capture capabilities in metal organic frameworks decorated with amino acid side chains.
Date: June 5, 2013
Creator: Drummond, Michael L.; Cundari, Thomas R., 1964- & Wilson, Angela K.
Object Type: Article
System: The UNT Digital Library
IUPAC-NIST Solubility Data Series. 99. Solubility of Benzoic Acid and Substituted Benzoic Acids in Both Neat Organic Solvents and Organic Solvent Mixtures. (open access)

IUPAC-NIST Solubility Data Series. 99. Solubility of Benzoic Acid and Substituted Benzoic Acids in Both Neat Organic Solvents and Organic Solvent Mixtures.

Article on the solubility of benzoic acid and substituted benzoic acids in both neat organic solvents and organic solvent mixtures.
Date: May 15, 2013
Creator: Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
IUPAC-NIST Solubility Data Series. 98. Solubility of Polycyclic Aromatic Hydrocarbons in Pure and Organic Solvent Mixtures: Revised and Updated. Part 1. Binary Solvent Mixtures (open access)

IUPAC-NIST Solubility Data Series. 98. Solubility of Polycyclic Aromatic Hydrocarbons in Pure and Organic Solvent Mixtures: Revised and Updated. Part 1. Binary Solvent Mixtures

Article on the solubility of polycyclic aromatic hydrocarbons in pure and organic solvent mixtures. This work updates volumes 54, 58, and 59 in the IUPAC Solubility Data Series and presents solubility data for polycyclic aromatic hydrocarbon solutes dissolved in binary organic solvent mixtures.
Date: February 28, 2013
Creator: Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
IUPAC-NIST Solubility Data Series. 98. Solubility of Polycyclic Aromatic Hydrocarbons in Pure and Organic Solvent Mixtures-Revised and Updated. Part 3. Neat Organic Solvents (open access)

IUPAC-NIST Solubility Data Series. 98. Solubility of Polycyclic Aromatic Hydrocarbons in Pure and Organic Solvent Mixtures-Revised and Updated. Part 3. Neat Organic Solvents

Article on the solubility of polycyclic aromatic hydrocarbons in pure and organic solvent mixtures. This work updates volumes 54, 58, and 59 in the IUPAC Solubility Data Series and presents solubility data for polycyclic aromatic hydrocarbon solutes dissolved in neat organic solvents.
Date: March 4, 2013
Creator: Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
IUPAC-NIST Solubility Data Series. 98. Solubility of Polycyclic Aromatic Hydrocarbons in Pure and Organic Solvent Mixtures: Revised and Updated. Part 2. Ternary Solvent Mixtures (open access)

IUPAC-NIST Solubility Data Series. 98. Solubility of Polycyclic Aromatic Hydrocarbons in Pure and Organic Solvent Mixtures: Revised and Updated. Part 2. Ternary Solvent Mixtures

Article on the solubility of polycyclic aromatic hydrocarbons in pure and organic solvent mixtures. This work updates volumes 54, 58, and 59 in the IUPAC Solubility Data Series and presents solubility data for polycyclic aromatic hydrocarbon solutes dissolved in ternary organic solvent mixtures.
Date: February 28, 2013
Creator: Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Correlation of the Solubilizing Abilities of 1-Butyl-1-methyl-pyrrolidinium Tris(pentafluoroethyl)-trifluorophosphate, 1-Butyl-1-methylpyrrolidinium Triflate and 1-Methoxyethyl-1-methylmorpholinium Tris(pentafluoroethyl) trifluorophosphate (open access)

Correlation of the Solubilizing Abilities of 1-Butyl-1-methyl-pyrrolidinium Tris(pentafluoroethyl)-trifluorophosphate, 1-Butyl-1-methylpyrrolidinium Triflate and 1-Methoxyethyl-1-methylmorpholinium Tris(pentafluoroethyl) trifluorophosphate

This article discusses the correlation of the solubilizing abilities.
Date: May 2013
Creator: Twu, Pamela; Anderson, Jared L.; Stephens, Timothy W.; Wilson, Anastasia; Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.)
Object Type: Article
System: The UNT Digital Library
Selective Extraction of N₂ from Air by Diarylimine Iron Complexes (open access)

Selective Extraction of N₂ from Air by Diarylimine Iron Complexes

This article discusses selective extraction of N₂ from air by diarylimine iron complexes.
Date: January 30, 2013
Creator: Bartholomew, Erika R.; Volpe, Emily C.; Wolczanski, Peter T.; Lobkovsky, Emil B. & Cundari, Thomas R., 1964-
Object Type: Article
System: The UNT Digital Library
Mechanism of Hydrogenolysis of an Iridium Methyl Bond: Evidence for  a Methane Complex Intermediate (open access)

Mechanism of Hydrogenolysis of an Iridium Methyl Bond: Evidence for a Methane Complex Intermediate

Article on the mechanism of hydrogenolysis of an iridium methyl bond and evidence for a methane complex intermediate.
Date: January 11, 2013
Creator: Campos, Jesus; Kundu, Sabuj; Pahls, Dale R.; Brookhart, Maurice S.; Carmona, Ernesto & Cundari, Thomas R., 1964-
Object Type: Article
System: The UNT Digital Library
Improvement of Quality in Publication of Experimental Thermophysical Property Data: Challenges, Assessment Tools, Global Implementation, and Online Support (open access)

Improvement of Quality in Publication of Experimental Thermophysical Property Data: Challenges, Assessment Tools, Global Implementation, and Online Support

Article on the improvement of quality in the publication of experimental thermophysical property data.
Date: September 6, 2013
Creator: Chirico, Robert D.; Frenkel, Michael; Magee, Joseph W.; Diky, Vladimir; Muzny, Chris D.; Kazakov, Andrei F. et al.
Object Type: Article
System: The UNT Digital Library
Mathematical Representation of Viscosity of Ionic Liquid + Molecular Solvent Mixtures at Various Temperatures Using the Jouyban-Acree Model (open access)

Mathematical Representation of Viscosity of Ionic Liquid + Molecular Solvent Mixtures at Various Temperatures Using the Jouyban-Acree Model

Article on mathematical representation of viscosity of ionic liquid and molecular solvent mixtures at various temperatures using the Jouyban-Acree model.
Date: May 6, 2013
Creator: Jouyban, Abolghasem; Soleymani, Jafar; Jafari, Farshad; Khoubnasabjafari, Mehry & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Determination of solvation descriptors for terpene hydrocarbons from chromatographic measurements (open access)

Determination of solvation descriptors for terpene hydrocarbons from chromatographic measurements

This article discusses the determination of solvation descriptors for terpene hydrocarbons from chromatographic measurements.
Date: February 2013
Creator: Abraham, M. H. (Michael H.); Gola, Joelle R. M.; Gil-Lostes, Javier; Acree, William E. (William Eugene) & Cometto-Muñiz, J. Enrique
Object Type: Article
System: The UNT Digital Library