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  Partner: UNT College of Arts and Sciences
 Department: Chemistry
 Decade: 2000-2009
 Collection: UNT Scholarly Works
Predicting Solubility of Anthracene in Non-aqueous Solvent Mixtures Using a Combination of Jouyban-Acree and Abraham Models

Predicting Solubility of Anthracene in Non-aqueous Solvent Mixtures Using a Combination of Jouyban-Acree and Abraham Models

Date: August 1, 2006
Creator: Jouyban, Abolghasem; Khoubnasabjafari, Maryam & Acree, William E. (William Eugene)
Description: Article on predicting the solubility of anthracene in non-aqueous solvent mixtures using a combination of Jouyban-Acree and Abraham models.
Contributing Partner: UNT College of Arts and Sciences
Modeling the Solvatochromic Parameter [E[NT]] of Mixed Solvents with Respect to Solvent Composition and Temperature using the Jouyban-Acree Model

Modeling the Solvatochromic Parameter [E[NT]] of Mixed Solvents with Respect to Solvent Composition and Temperature using the Jouyban-Acree Model

Date: 2006
Creator: Jouyban, Abolghasem; Khoubnasabjafari, Maryam & Acree, William E. (William Eugene)
Description: Article on modeling the solvatochromic parameter [E[NT]] of mixed solvents with respect to solvent composition and temperature using the Jouyban-Acree model.
Contributing Partner: UNT College of Arts and Sciences
Enthalpy of Solvation Correlations for Gaseous Solutes Dissolved in Chloroform and 1,2-dichloroethane Based on the Abraham Model

Enthalpy of Solvation Correlations for Gaseous Solutes Dissolved in Chloroform and 1,2-dichloroethane Based on the Abraham Model

Date: September 15, 2007
Creator: Mintz, Christina; Burton, Katherine; Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.)
Description: This article discusses enthalpy of solvation correlations for gaseous solutes dissolved in chloroform and 1,2-dichloroethane based on the Abraham model.
Contributing Partner: UNT College of Arts and Sciences
Characterization of the sorption of gaseous and organic solutes onto polydimethyl siloxane solid-phase microextraction surfaces using the Abraham model

Characterization of the sorption of gaseous and organic solutes onto polydimethyl siloxane solid-phase microextraction surfaces using the Abraham model

Date: December 21, 2007
Creator: Sprunger, Laura M.; Proctor, Amy; Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.)
Description: Article on the characterization of the sorption of gaseous and organic solutes onto polydimethyl siloxane solid-phase microextraction surfaces using the Abraham model.
Contributing Partner: UNT College of Arts and Sciences
Development of Abraham model correlations for solvation characteristics of linear alcohols

Development of Abraham model correlations for solvation characteristics of linear alcohols

Date: December 15, 2009
Creator: Sprunger, Laura M.; Achi, Sai S.; Pointer, Racheal; Blake-Taylor, Brooke H.; Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.)
Description: This article discusses the development of Abraham model correlations for solvation characteristics of linear alcohols.
Contributing Partner: UNT College of Arts and Sciences
Solubility of Anthracene in Binary Alcohol + Methyl Acetate Solvent Mixtures at 298.2 K

Solubility of Anthracene in Binary Alcohol + Methyl Acetate Solvent Mixtures at 298.2 K

Date: May 19, 2001
Creator: Acree, William E. (William Eugene)
Description: Article on the solubility of anthracene in binary alcohol + methyl acetate solvent mixtures at 298.2 K.
Contributing Partner: UNT College of Arts and Sciences
Partition of compounds from water and from air into amides

Partition of compounds from water and from air into amides

Date: 2009
Creator: Abraham, M. H. (Michael H.); Acree, William E. (William Eugene) & Cometto-Muñiz, J. Enrique
Description: Article on the partition of compounds from water and from air into amides.
Contributing Partner: UNT College of Arts and Sciences
Ab Initio Studies of Polarization and Piezoelectricity in Vinylidene Fluoride and BN-Based Polymers

Ab Initio Studies of Polarization and Piezoelectricity in Vinylidene Fluoride and BN-Based Polymers

Date: 2004
Creator: Nakhmanson, Serge M.; Buongiorno Nardelli, Marco & Bernholc, Jerry
Description: Article on ab initio studies of polarization and piezoelectricity in vinylidene fluoride and BN-based polymers.
Contributing Partner: UNT College of Arts and Sciences
Edmonds et al. Reply

Edmonds et al. Reply

Date: April 8, 2005
Creator: Edmonds, Kevin; Boguslawski, Piotr; Wang, K. Y.; Campion, Richard Paul; Novikov, Sergei; Farley, N. R. S. et al.
Description: This article is a response to an article by M. Adell et al. [Phy. Rev. Lett. 94, 139701 (2005)] about semiconductor-based spintronics research.
Contributing Partner: UNT College of Arts and Sciences
Onset of Ferrielectricity and the Hidden Nature of Nanoscale Polarization in Ferroelectric Thin Films

Onset of Ferrielectricity and the Hidden Nature of Nanoscale Polarization in Ferroelectric Thin Films

Date: September 5, 2008
Creator: Nuñez, Matías & Buongiorno Nardelli, Marco
Description: Article on the onset of ferrielectricity and the hidden nature of nanoscale polarization in ferroelectric thin films.
Contributing Partner: UNT College of Arts and Sciences
Electronic and Transport Properties of Artificial Gold Chains

Electronic and Transport Properties of Artificial Gold Chains

Date: August 27, 2004
Creator: Calzolari, Arrigo; Cavazzoni, Carlo & Buongiorno Nardelli, Marco
Description: Article on electronic and transport properties of artificial gold chains.
Contributing Partner: UNT College of Arts and Sciences
Phase Equilibria in High Energy Density PVDF-Based Polymers

Phase Equilibria in High Energy Density PVDF-Based Polymers

Date: July 27, 2007
Creator: Ranjan, Vivek; Yu, Liping; Buongiorno Nardelli, Marco & Bernholc, Jerry
Description: Article on phase equilibria in high energy density PVDF-based polymers.
Contributing Partner: UNT College of Arts and Sciences
Band Structure and Quantum Conductance of Nanostructures from Maximally Localized Wannier Functions: The Case of Functionalized Carbon Nanotubes

Band Structure and Quantum Conductance of Nanostructures from Maximally Localized Wannier Functions: The Case of Functionalized Carbon Nanotubes

Date: August 12, 2005
Creator: Lee, Young-Su; Buongiorno Nardelli, Marco & Marzari, Nicola
Description: Article on band structure and quantum conductance of nanostructures from maximally localized Wannier functions.
Contributing Partner: UNT College of Arts and Sciences
Mn Interstitial Diffusion in (Ga, Mn)As

Mn Interstitial Diffusion in (Ga, Mn)As

Date: January 23, 2004
Creator: Edmonds, Kevin; Boguslawski, Piotr; Wang, K. Y.; Campion, Richard Paul; Novikov, Sergei; Farley, N. R. S. et al.
Description: This article describes a combined theoretical and experimental study of the ferromagnetic semiconductor (Ga, Mn)As which explains the remarkably lard changes observed on low-temperature annealing.
Contributing Partner: UNT College of Arts and Sciences
Dynamic Conductance of Carbon Nanotubes

Dynamic Conductance of Carbon Nanotubes

Date: March 27, 2000
Creator: Roland, Christopher; Buongiorno Nardelli, Marco; Wang, Jian & Guo, Hong
Description: Article on dynamic conductance of carbon nanotubes.
Contributing Partner: UNT College of Arts and Sciences
Dissociation of Water on Defective Carbon Substrates

Dissociation of Water on Defective Carbon Substrates

Date: September 23, 2005
Creator: Kostov, Milen; Santiso, Erik; George, A. M.; Gubbins, Keith E. & Buongiorno Nardelli, Marco
Description: Article on the dissociation of water on defective carbon substrates.
Contributing Partner: UNT College of Arts and Sciences
Erratum: First-Principles Theory of Correlated Transport through Nanojunctions [Phys. Rev. Lett. 94, 116802 (2005)]

Erratum: First-Principles Theory of Correlated Transport through Nanojunctions [Phys. Rev. Lett. 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.
Description: This article provides the correction of an equation that was misprinted in Physical Review Letters 94, 116802 (2005).
Contributing Partner: UNT College of Arts and Sciences
First-Principles Theory of Correlated Transport through Nanojunctions

First-Principles Theory of Correlated Transport through Nanojunctions

Date: March 25, 2005
Creator: Ferretti, A.; Calzolari, Arrigo; Di Felice, R.; Manghi, F.; Caldas, Marilia J.; Buongiorno Nardelli, Marco et al.
Description: Article on the first-principles theory of correlated transport through nanojunctions.
Contributing Partner: UNT College of Arts and Sciences
Hexagon versus Trimer Formation in In Nanowires on Si(111): Energetics and Quantum Conductance

Hexagon versus Trimer Formation in In Nanowires on Si(111): Energetics and Quantum Conductance

Date: January 12, 2007
Creator: Stekolnikov, A. A.; Seino, Kaori; Bechstedt, Friedhelm; Calzolari, Arrigo & Buongiorno Nardelli, Marco
Description: Article on hexagon versus trimer formation in In nanowires on Si(111).
Contributing Partner: UNT College of Arts and Sciences
Solubility of Pioglitazone Hydrochloride in Aqueous Solutions of Ethanol, Propylene Glycol, and N-Methyl-2-Pyrrolidone at 298.2°K

Solubility of Pioglitazone Hydrochloride in Aqueous Solutions of Ethanol, Propylene Glycol, and N-Methyl-2-Pyrrolidone at 298.2°K

Date: December 2009
Creator: Soltanpour, Shahla; Acree, William E. (William Eugene) & Jouyban, Abolghasem
Description: Article on the solubility of pioglitazone hydrochloride in aqueous solutions of ethanol, propylene glycol, and n-methyl-2-pyrrolidone at 298°K.
Contributing Partner: UNT College of Arts and Sciences
Nitroxyl Radical plus Hydroxylamine Pseudo Self-Exchange Reactions: Tunneling in Hydrogen Atom Transfer

Nitroxyl Radical plus Hydroxylamine Pseudo Self-Exchange Reactions: Tunneling in Hydrogen Atom Transfer

Date: July 20, 2009
Creator: Wu, Adam; Mader, Elizabeth A.; Datta, Ayan; Hrovat, David A.; Borden, Weston T., 1943- & Mayer, James M.
Description: Article on nitroxyl radical plus hydroxylamine pseudo self-exchange reactions and tunneling in hydrogen atom transfer.
Contributing Partner: UNT College of Arts and Sciences
Slow Hydrogen Transfer Reactions of Oxo- and Hydroxo-Vanadium Compounds: The Importance of Intrinsic Barriers

Slow Hydrogen Transfer Reactions of Oxo- and Hydroxo-Vanadium Compounds: The Importance of Intrinsic Barriers

Date: March 17, 2009
Creator: Waidmann, Christopher; Zhou, Xin; Tsai, Erin A.; Kaminsky, Werner; Hrovat, David A.; Borden, Weston T., 1943- et al.
Description: Article on slow hydrogen atom transfer reactions of oxo- and hydroxo-vanadium compounds and the importance of intrinsic barriers.
Contributing Partner: UNT College of Arts and Sciences
Calculations Predict a Large Inverse H/D Kinetic Isotope Effect on the Rate of Tunneling in the Ring Opening of Cyclopropylcarbinyl Radical

Calculations Predict a Large Inverse H/D Kinetic Isotope Effect on the Rate of Tunneling in the Ring Opening of Cyclopropylcarbinyl Radical

Date: October 15, 2009
Creator: Zhang, Xue; Datta, Ayan; Hrovat, David A. & Borden, Weston T., 1943-
Description: Article on calculations predicting a large inverse H/D kinetic isotope effect on the rate of tunneling in the ring opening of cyclopropylcarbinyl radical.
Contributing Partner: UNT College of Arts and Sciences
Thermodynamics, Kinetics, and Mechanism of (silox)3M(olefin) to (silox)3M(alkylidene) Rearrangements (silox = tBu3SiO; M = Nb, Ta)

Thermodynamics, Kinetics, and Mechanism of (silox)3M(olefin) to (silox)3M(alkylidene) Rearrangements (silox = tBu3SiO; M = Nb, Ta)

Date: March 10, 2005
Creator: Hirsekorn, Kurt F.; Veige, Adam S.; Marshak, Michael P.; Koldobskaya, Yelena; Wolczanski, Peter T.; Cundari, Thomas R., 1964- et al.
Description: Article discussing the thermodynamic, kinetic, and mechanism of (silox)3M(olefin) to (silox)3M(alkylidene) rearrangements (silox = tBu3SiO; M = Nb, Ta).
Contributing Partner: UNT College of Arts and Sciences
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