Erratum: First-Principles Theory of Correlated Transport through Nanojunctions [Phys. Rev. Lett. 94, 116802 (2005)] (open access)

Erratum: First-Principles Theory of Correlated Transport through Nanojunctions [Phys. Rev. Lett. 94, 116802 (2005)]

This article provides the correction of an equation that was misprinted in Physical Review Letters 94, 116802 (2005).
Date: May 6, 2005
Creator: Ferretti, A.; Calzolari, Arrigo; Di Felice, Rosa; Manghi, Franca; Caldas, Marilia J.; Buongiorno Nardelli, Marco et al.
Object Type: Article
System: The UNT Digital Library
Commentary on “Extended Hildebrand Approach: An Empirical Model for Solubility Prediction of Etodolac in 1,4-Dioxane and Water Mixtures” (open access)

Commentary on “Extended Hildebrand Approach: An Empirical Model for Solubility Prediction of Etodolac in 1,4-Dioxane and Water Mixtures”

This article provides a commentary on mathematical errors concerning the incorrect conversion of mass fraction to volume fraction concentrations of 1,4-dioxane, the incorrect conversion of mole fraction solubilities to molar solubilities of Etodolac, and the incorrect calculation of the ideal mole fraction solubility of Etodolac.
Date: November 6, 2017
Creator: Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Low Coordinate, Monomeric Molybdenum and Tungsten(III) Complexes: Structure, Reactivity and Calculational Studies of (silox)3Mo and (silox)3ML (M = Mo, W; L = PMe3, CO; silox = tBu3SiO) (open access)

Low Coordinate, Monomeric Molybdenum and Tungsten(III) Complexes: Structure, Reactivity and Calculational Studies of (silox)3Mo and (silox)3ML (M = Mo, W; L = PMe3, CO; silox = tBu3SiO)

This article discusses low coordinate, monomeric molybdenum and tungsten(III) complexes.
Date: September 6, 2008
Creator: Kuiper, David S.; Wolczanski, Peter T.; Lobkovsky, Emil B. & Cundari, Thomas R., 1964-
Object Type: Article
System: The UNT Digital Library
Deoxygenations of (silox)₃WNO and R₃PO by (silox)₃M (M = V, Ta) and (silox)₃NbL (silox = ᵗBu₃SiO): Consequences of Electronic Effects (open access)

Deoxygenations of (silox)₃WNO and R₃PO by (silox)₃M (M = V, Ta) and (silox)₃NbL (silox = ᵗBu₃SiO): Consequences of Electronic Effects

Article discussing deoxygenations of (silox)3 WNO and R3PO by (silox)3M (M = V, Ta) and (silox)3NbL (silox = tBu3SiO) and consequences of electronic effects.
Date: June 6, 2001
Creator: Veige, Adam S.; Slaughter, LeGrande M.; Wolczanski, Peter T.; Matsunaga, Nikita; Decker, Stephen A. & Cundari, Thomas R., 1964-
Object Type: Article
System: The UNT Digital Library
Activation of Carbon-Hydrogen Bonds via 1,2-Addition across M-X (X = OH or NH2) Bonds of d6 Transition Metals as a Potential Key Step in Hydrocarbon Functionalization: A Computational Study (open access)

Activation of Carbon-Hydrogen Bonds via 1,2-Addition across M-X (X = OH or NH2) Bonds of d6 Transition Metals as a Potential Key Step in Hydrocarbon Functionalization: A Computational Study

Article discussing a computational study on the activation of carbon-hydrogen bonds via 1,2-addition across M-X (X = OH or NH2) bonds of d6 transition metals as a potential key step in hydrocarbon functionalization.
Date: October 6, 2007
Creator: Cundari, Thomas R., 1964-; Grimes, Thomas V. & Gunnoe, T. Brent
Object Type: Article
System: The UNT Digital Library
Investigation of the mechanical properties of Ni-B/hBN composite coatings electrodeposited in presence of CTAB as the surfactant (open access)

Investigation of the mechanical properties of Ni-B/hBN composite coatings electrodeposited in presence of CTAB as the surfactant

Article investigating the effect of hexadecyltrimethylammonium bromide (CTAB) concentration on the galvanostatic electrodeposition of Ni-B matrix nano hexagonal boron nitride (hBN) reinforced composite coatings.
Date: December 6, 2019
Creator: Karahan, İsmail H. & Tozar, Ali
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
Thermochemical and Theoretical Studies of Dimethylpyridine-2,6-dicarboxylate and Pyridine-2,3-, Pyridine-2,5-, and Pyridine-2,6-dicarboxylic Acids (open access)

Thermochemical and Theoretical Studies of Dimethylpyridine-2,6-dicarboxylate and Pyridine-2,3-, Pyridine-2,5-, and Pyridine-2,6-dicarboxylic Acids

Article discussing thermochemical and theoretical studies of dimethylpyridine-2,6-dicarboxylate and pyridine-2,3-, pyridine-2,5- and pyridine-2,6-dicarboxylic acids.
Date: May 6, 2005
Creator: Matos, M. Agostinha R.; Morais, Victor M. F.; Silva, Maria D. M. C. Ribeiro da; Marques, Marta C. F.; Sousa, Emanuel A.; Castiñeiras, Jorge P. et al.
Object Type: Article
System: The UNT Digital Library
Thermodynamic Properties of Three Pyridine Carboxylic Acid Methyl Ester Isomers (open access)

Thermodynamic Properties of Three Pyridine Carboxylic Acid Methyl Ester Isomers

This article discusses the thermodynamic properties of three pyridine carboxylic acid methyl ester isomers.
Date: February 6, 2007
Creator: Silva, Maria D. M. C. Ribeiro da; Freitas, Vera L. S.; Santos, Luís M. N. B. F.; Fulem, Michal; Sottomayor, M. J.; Monte, Manuel J. S. et al.
Object Type: Article
System: The UNT Digital Library
A computational study of the reaction kinetics of methyl radicals with trifluorohalomethanes (open access)

A computational study of the reaction kinetics of methyl radicals with trifluorohalomethanes

This article discusses a computational study of the reaction kinetics of methyl radicals with trifluorohalomethanes.
Date: January 6, 1999
Creator: Berry, Rajiv & Marshall, Paul
Object Type: Article
System: The UNT Digital Library
Synthesis of the Five-Coordinate Ruthenium (II) Complexes [(PCP)Ru(CO)(L)][BAr'4] {PCP = 2,6-(CH2PtBu2)2 C6H3, BAr'4 = 3,5-(CF3)2C6H3, L= ɳ1-CICH2CI, ɳ 1-N2, or μ-Cl-Ru(PCP)(CO)}: Reactions with Phenyldiazomethane and Phenylacetylene (open access)

Synthesis of the Five-Coordinate Ruthenium (II) Complexes [(PCP)Ru(CO)(L)][BAr'4] {PCP = 2,6-(CH2PtBu2)2 C6H3, BAr'4 = 3,5-(CF3)2C6H3, L= ɳ1-CICH2CI, ɳ 1-N2, or μ-Cl-Ru(PCP)(CO)}: Reactions with Phenyldiazomethane and Phenylacetylene

Article discussing the synthesis of the five-coordinate ruthenium (II) complexes and reactions with phenyldiazomethane and phenylacetylene.
Date: October 6, 2005
Creator: Zhang, Jubo; Barakat, Khaldoon A.; Cundari, Thomas R., 1964-; Gunnoe, T. Brent; Boyle, Paul D.; Petersen, Jeffrey L. et al.
Object Type: Article
System: The UNT Digital Library
Solubility of tadalafil in aqueous mixtures of Transcutol® and PEG 400 revisited: correlation, thermodynamics and preferential solvation (open access)

Solubility of tadalafil in aqueous mixtures of Transcutol® and PEG 400 revisited: correlation, thermodynamics and preferential solvation

Article analyzing mole fraction solubilities of tadalafil (3) in aqueous mixtures of Transcutol® and PEG 400 at temperatures from 298.15 to 333.15 K following Hildebrand solubility parameters.
Date: February 16, 2022
Creator: Shakeel, Faiyaz; Alshehri, Sultan; Ghoneim, Mohammed M.; Martínez, Fleming; Peña, María Á.; Jouyban, Abolghasem et al.
Object Type: Article
System: The UNT Digital Library
Singlet Quenching of Tetraphenylporphyrin and its Metal Derivatives by Iron(III) Coordination Compounds (open access)

Singlet Quenching of Tetraphenylporphyrin and its Metal Derivatives by Iron(III) Coordination Compounds

This article reports on the singlet quenching of 5, 10, 15, 20-tetraphenylporphyrin (H₂TPP) and its magnesium(II) and zinc(II) derivatives (MgTPP and ZnTPP) by a series of iron(III) coordination compounds bearing different ligand systems.
Date: January 6, 1990
Creator: D'Souza, Francis & Krishnan, V.
Object Type: Article
System: The UNT Digital Library
Biomimics of [FeFe]-hydrogenases incorporating redox-active ligands: synthesis, redox properties and spectroelectrochemistry of diiron-dithiolate complexes with ferrocenyl-diphosphines as Fe4S4 surrogates (open access)

Biomimics of [FeFe]-hydrogenases incorporating redox-active ligands: synthesis, redox properties and spectroelectrochemistry of diiron-dithiolate complexes with ferrocenyl-diphosphines as Fe4S4 surrogates

Article prepares and characterizes a small series of new [FeFe]-ase biomimics which contain a ferrocenyl diphosphine as a surrogate for the Fe₄S₄ moiety in the H-cluster of the enzyme. Mechanistic details of both proton reduction and H₂ oxidation have been studied by DFT allowing speculative reaction schemes to be developed.
Date: June 6, 2022
Creator: Orton, Georgia R. F.; Ghosh, Shishir; Alker, Lucy; Sarker, Jagodish C.; Pugh, David; Richmond, Michael G. et al.
Object Type: Article
System: The UNT Digital Library
The role of the 5f valence orbitals of early actinides in chemical bonding 5f valence orbiatls of early actinides in chemical bonding (open access)

The role of the 5f valence orbitals of early actinides in chemical bonding 5f valence orbiatls of early actinides in chemical bonding

This article illuminates the role of the 5f valence orbitals of uranium, neptunium and plutonium in chemical bonding using advanced spectroscopies.
Date: July 6, 2017
Creator: Vitova, T.; Pidchenko, I.; Fellhauer, D.; Bagus, Paul S.; Joly, Y.; Pruessmann, T. et al.
Object Type: Article
System: The UNT Digital Library
Fluorinated Metal-Organic Frameworks for Hydrocarbon Storage (open access)

Fluorinated Metal-Organic Frameworks for Hydrocarbon Storage

Patent relating to fluorinated metal-organic frameworks for hydrocarbon storage.
Date: October 7, 2011
Creator: Omary, Mohammad A. & Yang, Chi
Object Type: Patent
System: The UNT Digital Library
On the mechanism for plasma hydrogenation of graphene (open access)

On the mechanism for plasma hydrogenation of graphene

This article discusses the mechanism for plasma hydrogenation of graphene.
Date: December 6, 2010
Creator: Jones, Jason D.; Hoffmann, William D.; Jesseph, Aaron V.; Morris, Christopher; Verbeck, Guido F. & Pérez, José M.
Object Type: Article
System: The UNT Digital Library
A Novel ppb-Level Sensitive and Highly Selective Europium-Based Diketone Luminescent Sensor for the Quantitative Detection of Aluminum Ions in Water Samples (open access)

A Novel ppb-Level Sensitive and Highly Selective Europium-Based Diketone Luminescent Sensor for the Quantitative Detection of Aluminum Ions in Water Samples

Article describes how a novel Eu(tta)3([4,4′-(t-bu)2-2,2′-bpy)] complex (tta-thenoyltrifluoroacetone), a ratiometric luminescent-based optical sensor for the quantitative determination of aluminum ion, is synthesized and characterized using XRD and 1H NMR. The sensor reported here is tested for 11 common cations and shows no interference on sensitivity. According to the authors, this is the first known Eu-based luminescence sensor that successfully exhibited the ability to detect aluminum ions in ppb levels in aqueous environments.
Date: November 6, 2023
Creator: Rajitha Perera, Nawagamu A. K.; Shankar, Sindhu K.; Archambault, Cynthia M.; Nesterov, Vladimir N.; Marpu, Sreekar; Yan, Hao et al.
Object Type: Article
System: The UNT Digital Library