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Expanding the Equilibrium Solubility and Dissolution Thermodynamics of Benzoic Acid in Aqueous Alcoholic Mixtures
This article determines the equilibrium solubility of benzoic acid in water and ethanol, as well as in nine {ethanol (1) + water (2)} mixtures from T = (293.15 to 323.15) K. The thermodynamic results presented could be useful in optimizing different physical and chemical processes involving benzoic acid in mixed aqueous-ethanol media.
Date:
August 1, 2022
Creator:
Akay, Sema; Kayan, Berkant; Peña, M. Ángeles; Jouyban, Abolghasem; Martínez, Fleming & Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Absorption and emission modulation in a MoS2–GaN (0001) heterostructure by interface phonon–exciton coupling
Article reporting the change in the transient absorption characteristics of monolayer MoS2 and the modified PL emission characteristics in a monolayer MoS2–GaN (0001) heterostructure due to the coupling of carriers with the phonon modes and the energy exchange at the interface. The results demonstrate the relevance of interface coupling between the semiconductors for the development of optical and electronic applications.
Date:
September 26, 2019
Creator:
Poudel, Yuba; Sławińska, Jagoda; Gopal, Priya; Seetharaman, Sairaman; Hennighausen, Zachariah; Kar, Swastik et al.
Object Type:
Article
System:
The UNT Digital Library
Cysne et al. Reply
This article is a response to a comment on the authors' original article "Disentangling Orbital and Valley Hall Effects in Bilayers of Transition Metal Dichalcogenides." The authors' response concludes that they do not believe the main points of the original Letter are affected by the Comment.
Date:
October 1, 2021
Creator:
Cysne, Tarik P.; Costa, Marcio; Canonico, Luis M.; Buongiorno Nardelli, Marco; Muniz, R. B. & Rappoport, Tatiana G.
Object Type:
Article
System:
The UNT Digital Library
Multimodal switching of a redox-active macrocycle
This article looks at molecules that can exist in multiple states with the possibility of toggling between those states based on different stimuli. They have potential for use in molecular switching or sensing applications. The coupling of two different oxidation states with two different charge-transfer states within one macrocyclic scaffold delivers up to five different optical outputs. This molecular switching manifold exploits intramolecular coupling of multiple redox active substituents within a single molecule.
Date:
March 1, 2019
Creator:
Payne, Daniel T.; Webre, W. A.; Matsushita, Yoshitaka; Zhu, Nianyong; Futera, Zdeněk; Labuta, J. et al.
Object Type:
Article
System:
The UNT Digital Library
Crystal structure of 1,3-bis(hydroxymethyl)-2-oxaadamantane, C₁₁H₁₈O₃
This article describes the crystal structure of 1,3-bis(hydroxymethyl)-2-oxaadamantane, C₁₁H₁₈O₃.
Date:
April 1, 2001
Creator:
Bryan, J.C.; Mlinarić-Majerski, K.; Kragol, G. & Marchand, A.P.
Object Type:
Article
System:
The UNT Digital Library
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
Halogen Bonds: Benchmarks and Theoretical Analysis
This article describes an extensive survey of wave function and DFT methods to test their accuracy on geometries and dissociation energies of halogen bonds.
Date:
March 1, 2013
Creator:
Kozuch, Sebastian & Martin, Jan M. L.
Object Type:
Article
System:
The UNT Digital Library
Carbon-Hydrogen Bond Activation, C-N Bond Coupling, and Cycloaddition Reactivity of a Three-Coordinate Nickel Complex Featuring a Terminal Imido Ligand
In this study, we describe reaction chemistry of the first nickel(II) complexes having a terminally bound imido ligand, (dtbpe)Ni=NR (R = 2,6-ⁱPr₂C₆H₃, 2,3,6-Me₃C₆H₂ (Mes), and Ad) with various small unsaturated molecules.
Date:
December 1, 2014
Creator:
Mindiola, Daniel J.; Waterman, Rory; Iluc, Vlad M.; Cundari, Thomas R., 1964- & Hillhouse, Gregory L.
Object Type:
Article
System:
The UNT Digital Library
Mechanisms of Radical Removal by SO2
Article on mechanisms of radical removal by SO2.
Date:
January 1, 2007
Creator:
Rasmussen, Christian Lund; Glarborg, Peter & Marshall, Paul
Object Type:
Article
System:
The UNT Digital Library
Thermochemical Investigations of Nearly Ideal Binary Solvents. 6. Solubilities of Iodine and Benzil in Systems of Nonspecific Interactions
Article on thermochemical investigations of nearly ideal binary solvents and the solubilities of iodine and benzil in systems of nonspecific interactions.
Date:
February 1, 1983
Creator:
Acree, William E. (William Eugene) & Bertrand, Gary L.
Object Type:
Article
System:
The UNT Digital Library
A Computational Investigation of the Molecular Geometry and Rotational Barriers in Ethylmethyl Ether
Article on a computational investigation of the molecular geometry and rotational barriers in ethyl methyl ether.
Date:
December 1, 1993
Creator:
Stanton, C. L.; Marshall, Paul & Schwartz, Martin
Object Type:
Article
System:
The UNT Digital Library
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
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
Thermochemical Investigations of Nearly Ideal Binary Solvents 7: Monomer and Dimer Models for Solubility of Benzoic Acid in Simple Binary and Ternary Solvents
Article on thermochemical investigations of nearly ideal binary solvents and monomer and dimer models for solubility of benzoic acid in simple binary and ternary solvents.
Date:
September 1, 1981
Creator:
Acree, William E. (William Eugene) & Bertrand, Gary L.
Object Type:
Article
System:
The UNT Digital Library
Thermochemical Investigations of Associated Solutions: 4. Calculation of Carbazole-Dibutyl Ether Association Constants from Measured Solubility in Binary Solvent Mixtures
Article on thermochemical investigations of associated solutions and calculation of carbazole-dibutyl ether association constants from measured solubility in binary solvent mixtures.
Date:
July 1, 1987
Creator:
McCargar, James W.
Object Type:
Article
System:
The UNT Digital Library
Discharge-Flow/Chemiluminescence and Flash-Photolysis/Resonance Fluorescence Studies of the Reaction O + SiH4 at Room Temperature
Article on discharge-flow/chemiluminescence and flash-photolysis/resonance fluorescence studies of the reaction O + SiH4 at room temperature.
Date:
March 1, 1993
Creator:
Taylor, Craig A.; Ding, Luying & Marshall, Paul
Object Type:
Article
System:
The UNT Digital Library
Experimental and Kinetic Modeling Study of Methanol Ignition and Oxidation at High Pressure
Article on an experimental and kinetic modeling study of methanol ignition and oxidation at high pressure.
Date:
May 1, 2013
Creator:
Aranda, V.; Christensen, J. M.; Alzueta, María U.; Glarborg, Peter; Gersen, S.; Gao, Yide et al.
Object Type:
Article
System:
The UNT Digital Library
Kinetics and Thermochemistry of the Addition of Atomic Chlorine to Acetylene
Article on the kinetics and thermochemistry of the addition of atomic chlorine to acetylene.
Date:
January 1, 2007
Creator:
Gao, Yide; Alecu, I. M.; Hsieh, P-C; McLeod, A.; McLeod, Chris; Jones, Maxwell et al.
Object Type:
Article
System:
The UNT Digital Library
Comments Concerning "A Possible Simplification of the Goss-Modified Abraham Solvation Equation"
This article provides comments concerning "A possible simplification of the Goss-modified Abraham solvation equation," published in Chemosphere in 2013.
Date:
November 1, 2015
Creator:
Acree, William E. (William Eugene); Brumfield, Michela & Abraham, M. H. (Michael H.)
Object Type:
Article
System:
The UNT Digital Library
Experimental and Theoretical Studies of the Reaction of Atomic Hydrogen with Silane
Article on experimental and theoretical studies of the reaction of atomic hydrogen with silane.
Date:
November 1, 1993
Creator:
Goumri, Abdellatif; Yuan, W. J.; Ding, Luying; Shi, Youchun & Marshall, Paul
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
Abraham Model Correlations for Estimating Solute Transfer of Neutral Molecules into Anhydrous Acetic Acid from Water and from the Gas Phase
Article on Abraham model correlations for estimating solute transfer of neutral molecules into anhydrous acetic acid from water and from the gas phase.
Date:
September 1, 2015
Creator:
Stovall, Dawn M.; Schmidt, Amber; Dai, Colleen; Zhang, Shoshana; Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.)
Object Type:
Article
System:
The UNT Digital Library
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
Experimental and theoretical studies of the reaction of atomic oxygen with silane
Article on experimental and theoretical studies of the reaction of atomic oxygen with silane.
Date:
June 1, 1993
Creator:
Ding, Luying & Marshall, Paul
Object Type:
Article
System:
The UNT Digital Library