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Equations for the Transfer of Neutral Molecules and Ionic Species from Water to Organic phases
Article on equations for the transfer of neutral molecules and ionic species from water to organic phases.
Date:
January 25, 2010
Creator:
Abraham, M. H. (Michael H.) & Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Some Novel Liquid Partitioning Systems: Water-Ionic Liquids and Aqueous Biphasic Systems
Article on water-ionic liquids and aqueous biphasic systems and some novel liquid partitioning systems.
Date:
January 11, 2003
Creator:
Abraham, M. H. (Michael H.); Zissimos, Andreas M.; Huddleston, Jonathan G.; Willauer, Heather D.; Rogers, Robin D. & Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Commentary on "Solubility and solution thermodynamics of cetilistat in water and (acetone, isopropyl alcohol, acetonitrile) binary solvent mixtures"
This article reanalyzes experimental solubility data reported in the recent paper "Solubility and solution thermodynamics of cetilistat in water and (acetone, isopropyl alcohol, acetonitrile) binary solvent mixtures" in the Journal of Molecular Liquids.
Date:
January 17, 2017
Creator:
Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Comments on "Solubility and Dissolution Thermodynamic Data of Cefpiramide in Pure Solvents and Binary Solvents"
Abstract: Errors are found in the mathematical correlation based on the combined Jouyban-Acree and Modified Apelblat model for describing the variation in the mole fraction solubility of cefpiramide with temperature and solvent composition for the binary aqueous-ethanol solvent system. The equation coefficents given by Tang and coworkers, when substituted into the model equation, do not yield the authors' calculated mole fraction solubilities of cefpiramide.
Date:
January 24, 2018
Creator:
Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Solubility of Phenylacetic Acid in Binary Solvent Mixtures
Article on the solubility of phenylacetic acid in binary solvent mixtures.
Date:
January 1985
Creator:
Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Comment on "Structural Determinants of Drug Partitioning in Surrogates of Phosphatidylcholine Bilayer Strata"
This article gives comment to a previous article published in 'Molecular Pharmaceuticals' titled, "Structural Determinants of Drug Partitioning in Surrogates of Phosphatidylcholine Bilayer Strata."
Date:
January 13, 2015
Creator:
Acree, William E. (William Eugene); Brumfield, Michela & Abraham, M. H. (Michael H.)
Object Type:
Article
System:
The UNT Digital Library
Thermodynamic Properties of Organic Compounds. 3. Sublimation Enthalpy and Heat Capacities of 2,4,6-Trimethylbenzonitrile N-oxide
Article discussing thermodynamic properties of organic compounds and sublimation enthalpy and heat capacities of 2,4,6-trimethylbenzonitrile N-oxide.
Date:
January 1993
Creator:
Acree, William E. (William Eugene); Sevruk, Viktor M.; Kozyro, Alexander A.; Krasulin, Alexander P.; Kabo, Gennady J. & Frenkel, Michael L.
Object Type:
Article
System:
The UNT Digital Library
Thermodynamic Properties of Organic Compounds. 2. Combustion and Sublimation Enthalpies of 2,4,6-Trimethylbenzonitrile N-Oxide
Article discussing thermodynamic properties of organic compounds and combustion and sublimation enthalpies of 2,4,6-trimethylbenzonitrile N-oxide.
Date:
January 1992
Creator:
Acree, William E. (William Eugene); Simirsky, Vladimir V.; Kozyro, Alexander A.; Krasulin, Alexander P.; Kabo, Gennady J. & Frenkel, Michael L.
Object Type:
Article
System:
The UNT Digital Library
Solubility of Anthracene in Binary Propyl Acetate + Alcohol Solvent Mixtures at 298.15 K
Article discussing the solubility of anthracene in binary propyl acetate + alcohol solvent mixtures at 298.15 K
Date:
January 10, 2008
Creator:
Alcazar, Lisset; Blanco, Ana; Cano, Ruth; Fisher, Leigh; Nau, Mason; Sidransky, Lizette et al.
Object Type:
Article
System:
The UNT Digital Library
Analysis of the Fe 2p XPS for hematite 𝛂 Fe2O3: Consequences of covalent bonding and orbital splittings on multiplet splittings
Article analyzes the origins of the complex Fe 2p X-Ray Photoelectron Spectra (XPS) of hematite (α-Fe₂O₃) and is related to the character of the bonding in this compound. This analysis provides a new and novel view of the reasons for XPS binding energies (BEs) and BE shifts, which deepens the current understanding and interpretation of the physical and chemical significance of the XPS. This article is part of the JCP Special Topic on Oxide Chemistry and Catalysis.
Date:
January 2, 2020
Creator:
Bagus, Paul S.; Nelin, Connie J.; Brundle, C. R.; Lahiri, N.; Ilton, Eugene S. & Rosso, Kevin M.
Object Type:
Article
System:
The UNT Digital Library
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
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
Composition of Epoxy Resin, Aliphatic Amine Curing Agent and Halogenated Amine
Patent relating to the composition of epoxy resin, aliphatic amine curing agent and halogenated amine.
Date:
March 10, 2009
Creator:
Bilyeu, Bryan; Brostow, Witold, 1934- & Menard, Kevin P.
Object Type:
Patent
System:
The UNT Digital Library
Evidence for Strong Tantalum-to-Boron Dative Interactions in (silox)3Ta(BH3) and (silox)3Ta(ɳ2-B,CI-BCI2Ph) (silox = tBu3SiO)1
This article discusses strong tantalum-to-boron dative interactions in (silox)3Ta(BH3) and (silox)3Ta(ɳ2-B,CI-BCI2Ph) (silox = tBu3SiO)1.
Date:
January 24, 2007
Creator:
Bonanno, Jeffrey B.; Henry, Thomas P.; Wolczanski, Peter T.; Pierpont, Aaron W. & Cundari, Thomas R., 1964-
Object Type:
Article
System:
The UNT Digital Library
Lip-Lip Interactions and the Growth of Multiwalled Carbon Nanotubes
Article on lip-lip interactions and the growth of multiwalled carbon nanotubes.
Date:
January 12, 1998
Creator:
Buongiorno Nardelli, Marco; Brabec, Charles; Roland, Christopher & Bernholc, Jerry
Object Type:
Article
System:
The UNT Digital Library
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
Metal ion-molecule kinetics at combustion temperatures. The reaction of Ca+ with O2
Article on metal ion-molecule kinetics at combustion temperatures and the reaction of Ca+ with O2.
Date:
January 1, 2007
Creator:
Cosic, Biljana; Ermoline, Alexandre; Fontijn, A. (Arthur) & Marshall, Paul
Object Type:
Article
System:
The UNT Digital Library
Calculation of a Methane C-H Oxidative Addition Trajectory: Comparison to Experiment and Methane Activation by High-Valent Complexes
Article discussing research on the calculation of methane C-H oxidative addition trajectory and a comparison to experiment and methane activation by high-valent complexes.
Date:
January 1994
Creator:
Cundari, Thomas R., 1964-
Object Type:
Article
System:
The UNT Digital Library
Periodic and Molecular Modeling Study of Donor - Acceptor Interactions in (dbbpy)Pt(tdt) • TENF and [Pt(dbbpy)(tdt)]₂ • TENF
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. & Rabaâ, Hassan
Object Type:
Article
System:
The UNT Digital Library
Carbon-Hydrogen Bond Activation by Titanium Imido Complexes. Computational Evidence for the Role of Alkane Adducts in Selective C-H Activation
This article reports calculations that probe the role of R (hydrocarbon) and R' (ligand substituent) effects on the reaction coordinate for C-H activation.
Date:
January 19, 2002
Creator:
Cundari, Thomas R., 1964-; Klinckman, Thomas R. & Wolczanski, Peter T.
Object Type:
Article
System:
The UNT Digital Library
Molecular Modeling of Vanadium-Oxo Complexes. A Comparison of Quantum and Classical Methods
This article discusses molecular modeling of vanadium-oxo complexes and a comparison of quantum and classical methods.
Date:
January 22, 1998
Creator:
Cundari, Thomas R., 1964-; Saunders, Leah & Sisterhen, Laura L.
Object Type:
Article
System:
The UNT Digital Library
Solubility and preferential solvation of some n-alkyl-parabens in methanol + water mixtures at 298.15 K
This article describes methyl, ethyl and propyl parabens equilibrium solubility as determined in (methanol + water) binary mixtures at 298.15 K.
Date:
January 7, 2017
Creator:
Cárdenas, Zaira J.; Jiménez, Daniel M.; Delgado, Daniel R.; Almanza, Ovidio A.; Jouyban, Abolghasem; Martínez, Fleming et al.
Object Type:
Article
System:
The UNT Digital Library
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
Ignition delay times of NH3/DME blends at high pressure and low DME fraction: RCM experiments and simulations
Authors of the article describe how autoignition delay times of ammonia/dimethyl ether (NH3/DME) mixtures were measured in a rapid compression machine with DME fractions of 0, 2 and 5 and 100% in the fuel. Analysis of the mechanism indicates that this 'early DME oxidation' generates reactive species that initiate the oxidation of ammonia, which in turn begins heat release that raises the temperature and accelerates the oxidation process towards ignition. This is the accepted manuscript version of the published article.
Date:
January 14, 2021
Creator:
Dai, Liming; Glarborg, Peter; Gersen, Sander; Marshall, Paul; Mokhov, Anatoli & Levinsky, Howard
Object Type:
Article
System:
The UNT Digital Library