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Comment on "Thermochemical Investigations of Associated Solutions: Calculation of Solute-Solvent Equilibrium Constants from Solubility Measurements" (open access)

Comment on "Thermochemical Investigations of Associated Solutions: Calculation of Solute-Solvent Equilibrium Constants from Solubility Measurements"

This article provides comments on "Thermochemical Investigations of Associated Solutions: Calculation of Solute-Solvent Equilibrium Constants from Solubility Measurements," published in the Journal of Pharmaceutical Sciences in 1983.
Date: July 1, 1987
Creator: Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Phase Change Enthalpies and Entropies of Liquid Crystals (open access)

Phase Change Enthalpies and Entropies of Liquid Crystals

Article on phase change enthalpies and entropies of liquid crystals.
Date: July 17, 2006
Creator: Acree, William E. (William Eugene) & Chickos, James S.
Object Type: Article
System: The UNT Digital Library

Phase Transition Enthalpy Measurements of Organic and Organometallic Compounds. Sublimation, Vaporization and Fusion Enthalpies From 1880 to 2015. Part 1. C1-C10

This article updates a compendium of phase change enthalpies published in 2010 to include the period 1880-2015.
Date: July 21, 2016
Creator: Acree, William E. (William Eugene) & Chickos, James S.
Object Type: Article
System: The UNT Digital Library
Thermochemical Investigations of Associated Solutions: 5. Calculation of Solute-Solvent Equilibrium Constants from Solubility in Mixtures Containing Two Complexing Solvents (open access)

Thermochemical Investigations of Associated Solutions: 5. Calculation of Solute-Solvent Equilibrium Constants from Solubility in Mixtures Containing Two Complexing Solvents

Article on thermochemical investigations of associated solutions and the calculation of solute-solvent equilibrium constants from solubility in mixtures containing two complexing solvents.
Date: July 1, 1987
Creator: Acree, William E. (William Eugene) & McCargar, James W.
Object Type: Article
System: The UNT Digital Library

Abraham Model Linear Free Energy Relationships as a Means of Extending Solubility Studies to Include the Estimation of Solute Solubilities in Additional Organic Solvents

This article calculates Abraham model solute descriptors for 5-nitro-8-hydroxyquinoline, 2-methyl-6-nitroaniline, and terephthaldialdehyde using experimental solubility data taken from papers published in The Journal of Chemical Thermodynamics in 2016.
Date: July 21, 2016
Creator: Acree, William E. (William Eugene); Horton, Melissa Y.; Higgins, Elizabeth & Abraham, M. H. (Michael H.)
Object Type: Article
System: The UNT Digital Library
Toward a More Rational Design of the Direct Synthesis of Aniline: A Density Functional Theory Study (open access)

Toward a More Rational Design of the Direct Synthesis of Aniline: A Density Functional Theory Study

This article uses plane-wave density functional theory calculations to investigate the direct amination of benzene catalyzed by a Ni(111) surface to explore the reaction intermediates and to understand the role of nickel in this reaction.
Date: March 24, 2017
Creator: Alsunaidi, Zainab H. A.; Cundari, Thomas R., 1964- & Wilson, Angela K.
Object Type: Article
System: The UNT Digital Library
Spectroscopic Investigation of Fluorescence Quenching Agents: Effect of Nitromethane on the Fluorescence Emission Behavior of Select Cyclopenta-PAH, Aceanthrylene, and Fluorene Derivatives (open access)

Spectroscopic Investigation of Fluorescence Quenching Agents: Effect of Nitromethane on the Fluorescence Emission Behavior of Select Cyclopenta-PAH, Aceanthrylene, and Fluorene Derivatives

Article on a spectroscopic investigation of fluorescence quenching agents and the effect of nitromethane on the fluorescence emission behavior of select cyclopenta-PAH, aceanthrylene, and fluorene derivatives.
Date: July 1, 1992
Creator: Amszi, Vicki L.; Cordero, Yvonne; Smith, Bradley; Tucker, Sheryl A. (Sheryl Ann); Acree, William E. (William Eugene); Yang, Chengxi et al.
Object Type: Article
System: The UNT Digital Library
Disproportionation of Gold(II) Complexes. A Density Functional Study of Ligand and Solvent Effects (open access)

Disproportionation of Gold(II) Complexes. A Density Functional Study of Ligand and Solvent Effects

This article discusses disproportionation of gold(II) as an atomic ion as well as with chloride and neutral ligands.
Date: July 13, 2006
Creator: Barakat, Khaldoon A.; Cundari, Thomas R., 1964-; Rabaâ, Hassan & Omary, Mohammad A.
Object Type: Article
System: The UNT Digital Library
Reference materials for phase equilibrium studies. 1. Liquid–liquid equilibria (IUPAC Technical Report) (open access)

Reference materials for phase equilibrium studies. 1. Liquid–liquid equilibria (IUPAC Technical Report)

This article is the first of three projected IUPAC Technical Reports resulting from IUPAC Project 2011-037-2-100 (Reference Materials for Phase Equilibrium Studies). This report proposes seven systems for liquid–liquid equilibrium studies, covering the four most common categories of binary mixtures: aqueous systems of moderate solubility, non-aqueous systems, systems with low solubility, and systems with ionic liquids.
Date: July 8, 2021
Creator: Bazyleva, Ala; Acree, William E. (William Eugene); Chirico, Robert D.; Diky, Vladimir; Hefter, Glenn T.; Jacquemin, Johan et al.
Object Type: Article
System: The UNT Digital Library
Self-Assembly-Directed Organization of a Fullerene–Bisporphyrin into Supramolecular Giant Donut Structures for Excited-State Charge Stabilization (open access)

Self-Assembly-Directed Organization of a Fullerene–Bisporphyrin into Supramolecular Giant Donut Structures for Excited-State Charge Stabilization

This article creates a well-defined architecture for functional materials composed of spontaneously self-assembled electron donor and acceptor entities capable of generating long-lived charge-separated states upon photoillumination and reports the synthesis of a new fullerene–bis-Zn-porphyrin e-bisadduct by tether-directed functionalization of C60 via a multistep synthetic protocol.
Date: July 14, 2021
Creator: Caballero, Rubén; Barrejón, Myriam; Cerdá, Jesús; Aragó, Juan; Seetharaman, Sairaman; de la Cruz, Pilar et al.
Object Type: Article
System: The UNT Digital Library
Regulating C2H2/CO2 adsorption selectivity by electronic-state manipulation of iron in metal-organic frameworks (open access)

Regulating C2H2/CO2 adsorption selectivity by electronic-state manipulation of iron in metal-organic frameworks

Article reports a metal electronic-state manipulation strategy to construct a pair of isostructural and interconvertible Fe-MOFs featuring open Fe centers with different electron densities for efficient C₂H₂/CO₂ separation. The authors show that the presence of Fe[II] centers with a medium-spin-state trail plays a crucial role in the enhanced C₂H₂ selective adsorption.
Date: July 20, 2022
Creator: Chen, Cheng-Xia; Pham, Tony; Tan, Kui; Krishna, Rajamani; Lan, Pui Ching; Wang, Longfei et al.
Object Type: Article
System: The UNT Digital Library
Method of Making Integrated Circuits Using Ruthenium and its Oxides as a Cu Diffusion Barrier (open access)

Method of Making Integrated Circuits Using Ruthenium and its Oxides as a Cu Diffusion Barrier

Patent relating to a method of making integrated circuits using ruthenium and its oxides as a Cu diffusion barrier.
Date: June 20, 2003
Creator: Chyan, Oliver M. R. & Ponnuswamy, Thomas
Object Type: Patent
System: The UNT Digital Library
Principal Resonance Contributors to High-Valent, Transition-Metal Alkylidene Complexes (open access)

Principal Resonance Contributors to High-Valent, Transition-Metal Alkylidene Complexes

Article discussing principal resonance contributors to high-valent, transition-metal alkylidene complexes.
Date: July 1991
Creator: Cundari, Thomas R., 1964- & Gordon, Mark S.
Object Type: Article
System: The UNT Digital Library
Solubility of Pyrene in Ternary Propanol + Butanol + Cyclohexane Solvent Mixtures at 299.15 K (open access)

Solubility of Pyrene in Ternary Propanol + Butanol + Cyclohexane Solvent Mixtures at 299.15 K

Solubility of pyrene in ternary propanol + butanol + cyclohexane solvent mixtures at 299.15 K.
Date: July 12, 2001
Creator: Debase, Ebun M. & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Does Alkyl Substitution Affect the Si-H Bond Strength in Silane? Kinetic Studies of the Reactions of Atomic Chlorine and Bromine with Trimethylsilane and an ab Initio Investigation (open access)

Does Alkyl Substitution Affect the Si-H Bond Strength in Silane? Kinetic Studies of the Reactions of Atomic Chlorine and Bromine with Trimethylsilane and an ab Initio Investigation

Article on kinetics studies of the reactions of atomic chlorine and bromine with trimethylsilane and an ab initio investigation.
Date: July 1, 1992
Creator: Ding, Luying & Marshall, Paul
Object Type: Article
System: The UNT Digital Library
A Masked Two-Coordinate Cobalt (I) Complex That Activates C-F Bonds (open access)

A Masked Two-Coordinate Cobalt (I) Complex That Activates C-F Bonds

This article discusses a masked two-coordinate cobalt(I) complex that activates C-F bonds.
Date: July 19, 2011
Creator: Dugan, Thomas R.; Sun, Xianru; Rybak-Akimova, Elena V.; Olatunji-Ojo, Olayinka; Cundari, Thomas R., 1964- & Holland, Patrick L.
Object Type: Article
System: The UNT Digital Library
Rate Constants and Hydrogen Isotope Substitution Effects in the CH₃ + HCl and CH₃ + Cl₂ (open access)

Rate Constants and Hydrogen Isotope Substitution Effects in the CH₃ + HCl and CH₃ + Cl₂

Article on rate constants and hydrogen isotope substitution effects in the CH₃ + HCl and CH₃ + Cl₂ reactions.
Date: July 23, 2008
Creator: Eskola, Arkke J.; Timonen, Raimo S.; Marshall, Paul; Chesnokov, Evgeni N. & Krasnoperov, Lev N.
Object Type: Article
System: The UNT Digital Library
Synthetic Approaches to (smif)₂Ti (smif=1,3-di-(2-pyridyl)-2-azaallyl) Reveal Redox Non-Innocence and C-C Bond-Formation (open access)

Synthetic Approaches to (smif)₂Ti (smif=1,3-di-(2-pyridyl)-2-azaallyl) Reveal Redox Non-Innocence and C-C Bond-Formation

Article discussing synthetic approaches to (smif)₂Ti(smif=1,3-di-(2-pyridyl)-2-azallyl) revealing redox non-innocence and C-C bond-formation.
Date: July 25, 2012
Creator: Frazier, Brenda A.; Wolczanski, Peter T.; Keresztes, Ivan; DeBeer, Serena 1973-; Lobkovsky, Emil B.; Pierpont, Aaron W. et al.
Object Type: Article
System: The UNT Digital Library
Thermochemical Study of Three Hindered Pyridine Derivatives (open access)

Thermochemical Study of Three Hindered Pyridine Derivatives

Article discussing a thermochemical study of three hindered pyridine derivatives.
Date: July 2, 2008
Creator: Freitas, Vera L. S.; Acree, William E. (William Eugene) & Silva, Maria D. M. C. Ribeiro da
Object Type: Article
System: The UNT Digital Library
Electropolymerizable meso-Tetrakis Biphenyl-Bis(bithiophene) Zinc Porphyrin: Ground and Excited State Properties in Solution and in Films with Axially Coordinated C60 (open access)

Electropolymerizable meso-Tetrakis Biphenyl-Bis(bithiophene) Zinc Porphyrin: Ground and Excited State Properties in Solution and in Films with Axially Coordinated C60

Article presenting research where an electropolymerizable zinc porphyrin carrying eight entities of peripheral bithiophene, 4 was newly designed and synthesized.
Date: July 9, 2020
Creator: Ganesan, Ashwin; Shao, Shuai; Seetharaman, Sairaman; Perera, Wijayantha A. & D'Souza, Francis
Object Type: Article
System: The UNT Digital Library
Re-examination of the N2O+O reaction (open access)

Re-examination of the N2O+O reaction

This article is about how the reaction of N20 with O is a key step in consumption of nitrous oxide in thermal processes. In the present work ,the authors re-examined a wide range of experiments relevant for the N2O+O reaction through kinetic modeling, paying attention to the impact of artifacts such as impurities and surface reactions.
Date: July 27, 2023
Creator: Glarborg, Peter; Allingham, Johanne S.; Skov, Alexander B.; Hashemi, Hamid & Marshall, Paul
Object Type: Article
System: The UNT Digital Library
Single-Electron Oxidation of Monomeric Copper(I) Alkyl Complexes: Evidence for Reductive Elimination through Biomolecular Formation of Alkanes (open access)

Single-Electron Oxidation of Monomeric Copper(I) Alkyl Complexes: Evidence for Reductive Elimination through Biomolecular Formation of Alkanes

This article discusses single-electron oxidation of monomeric copper(I) alkyl complexes.
Date: July 21, 2006
Creator: Goj, Laurel A.; Blue, Elizabeth D.; Delp, Samuel A.; Gunnoe, T. Brent; Cundari, Thomas R., 1964- & Petersen, Jeffrey L.
Object Type: Article
System: The UNT Digital Library
Energetics of the N-O Bonds in 2-Hydroxyphenazine-di-N-oxide (open access)

Energetics of the N-O Bonds in 2-Hydroxyphenazine-di-N-oxide

Article on energetics of the N-O bonds in 2-hydroxyphenazine-di-N-oxide.
Date: July 29, 2005
Creator: Gomes, José R. B.; Sousa, Emanuel A.; Gonçalves, Jorge M.; Monte, Manuel J. S.; Gomes, Paula; Pandey, Siddharth et al.
Object Type: Article
System: The UNT Digital Library
Kinetics of the recombination reaction SH + O₂ + Ar: Implications for the formation and loss of HSOO and SOO in the atmosphere (open access)

Kinetics of the recombination reaction SH + O₂ + Ar: Implications for the formation and loss of HSOO and SOO in the atmosphere

Article on kinetics of the recombination reaction SH + O₂ + Ar and implications for the formation and loss of HSOO and SOO in the atmosphere.
Date: July 1995
Creator: Goumri, Abdellatif; Rocha, John-David Ray & Marshall, Paul
Object Type: Article
System: The UNT Digital Library