Onset of Ferrielectricity and the Hidden Nature of Nanoscale Polarization in Ferroelectric Thin Films (open access)

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

Article on the onset of ferrielectricity and the hidden nature of nanoscale polarization in ferroelectric thin films.
Date: September 5, 2008
Creator: Nuñez, Matías & Buongiorno Nardelli, Marco
Object Type: Article
System: The UNT Digital Library
Dissociation of Water on Defective Carbon Substrates (open access)

Dissociation of Water on Defective Carbon Substrates

Article on the 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
Object Type: Article
System: The UNT Digital Library
The relaxation of OH (v = 1) and OD (v = 1) by H2O and D2O at temperatures from 251 to 390 K (open access)

The relaxation of OH (v = 1) and OD (v = 1) by H2O and D2O at temperatures from 251 to 390 K

Article on the relaxation of OH (v = 1) and OD (v = 1) by H₂O and D₂O at temperatures from 251 to 390 K.
Date: June 30, 2006
Creator: McCabe, D. C.; Rajakumar, B.; Marshall, Paul; Smith, Ian W. M. & Ravishankara, A. R.
Object Type: Article
System: The UNT Digital Library
Experimental and Computational Studies of Ruthenium(II)-Catalyzed Addition of Arene C-H Bonds to Olefins (open access)

Experimental and Computational Studies of Ruthenium(II)-Catalyzed Addition of Arene C-H Bonds to Olefins

This article discusses experimental and computational studies of Ruthenium(II)-Catalyzed addition of arene C-H bonds to olefins.
Date: September 10, 2004
Creator: Lail, Marty; Bell, Christen M.; Conner, David; Cundari, Thomas R., 1964-; Gunnoe, T. Brent & Petersen, Jeffrey L.
Object Type: Article
System: The UNT Digital Library
Ruthenium(II)-Mediated Carbon-Carbon Bond Formation between Acetonitrile and Pyrrole: Combined Experimental and Computational Study (open access)

Ruthenium(II)-Mediated Carbon-Carbon Bond Formation between Acetonitrile and Pyrrole: Combined Experimental and Computational Study

This article discusses ruthenium(II)-mediated carbon-carbon bond formation between acetonitrile and pyrrole.
Date: September 13, 2005
Creator: Pittard, Karl A.; Cundari, Thomas R., 1964-; Gunnoe, T. Brent; Day, Cynthia S. & Petersen, Jeffrey L.
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
Catalytic Tuning of a Phosphinoethane Ligand for Enhanced C-H Activation (open access)

Catalytic Tuning of a Phosphinoethane Ligand for Enhanced C-H Activation

Article discussing research on the catalytic tuning of a phosphinoethane ligand for enhanced C-H activation.
Date: September 5, 2008
Creator: Cundari, Thomas R., 1964-; Jimenez-Halla, J. Oscar C.; Morello, Glenn R. & Vaddadi, Sridhar
Object Type: Article
System: The UNT Digital Library
Evidence for the Net Addition of Arene C-H Bonds across a Ru(II)-Hydroxide Bond (open access)

Evidence for the Net Addition of Arene C-H Bonds across a Ru(II)-Hydroxide Bond

Article discussing evidence for the net addition of Arene C-H bonds across a Ru(II)-Hydroxide bond.
Date: September 27, 2005
Creator: Feng, Yuee; Lail, Marty; Barakat, Khaldoon A.; Cundari, Thomas R., 1964-; Gunnoe, T. Brent & Petersen, Jeffrey L.
Object Type: Article
System: The UNT Digital Library
The correlation-consistent composite approach: Application to the G3/99 test set (open access)

The correlation-consistent composite approach: Application to the G3/99 test set

Article discussing research on the correlation consistent composite approach (ccCA) and an application to the G3/99 test set.
Date: September 13, 2006
Creator: DeYonker, Nathan J.; Grimes, Thomas V.; Yockel, Scott; Dinescu, Adriana; Mintz, Benjamin; Cundari, Thomas R., 1964- et al.
Object Type: Article
System: The UNT Digital Library
Partition Coefficients of Organic Compounds in New Imidazolium and Tetralkylammonium Based Ionic Liquids Using Inverse Gas Chromatography (open access)

Partition Coefficients of Organic Compounds in New Imidazolium and Tetralkylammonium Based Ionic Liquids Using Inverse Gas Chromatography

This article discusses partition coefficients of organic compounds in new imidazolium and tetralkylammonium based ionic liquids using inverse gas chromatography.
Date: September 11, 2009
Creator: Mutelet, Fabrice; Revelli, Anne-Laure; Jaubert, Jean-Noël; Sprunger, Laura M.; Baker, Gary A. & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Solubility of Budesonide, Hydrocortisone, and Prednisolone in Ethanol + Water Mixtures at 298.2 K (open access)

Solubility of Budesonide, Hydrocortisone, and Prednisolone in Ethanol + Water Mixtures at 298.2 K

This article discusses the solubility of budesonide, hydrocortisone, and prednisolone in ethanol and water mixtures at 298.2 K.
Date: September 14, 2009
Creator: Ali, Hany Saleh Mohamed; Blagden, Nicholas; York, Peter; Soltanpour, Shahla; Acree, William E. (William Eugene) & Jouyban, Abolghasem
Object Type: Article
System: The UNT Digital Library
Metal Effect on the Supramolecular Structure, Photophysics, and Acid-Base Character of Trinuclear Pyrazolato Coinage Metal Complexes (open access)

Metal Effect on the Supramolecular Structure, Photophysics, and Acid-Base Character of Trinuclear Pyrazolato Coinage Metal Complexes

This article discusses the metal effect on the supramolecular structure, photophysics, and acid-base character of trinuclear pyrazolato coinage metal complexes.
Date: September 10, 2005
Creator: Omary, Mohammad A.; Rawashdeh-Omary, Manal A.; Gonser, M. W. Alexander; Elbjeirami, Oussama; Grimes, Thomas V.; Cundari, Thomas R., 1964- et al.
Object Type: Article
System: The UNT Digital Library
Chemistry Surrounding Monomeric Copper(l) Methyl, Phenyl, Anilido, Ethoxide, and Phenoxide Complexes Supported by N-Heterocyclic Carbene Ligands: Reactivity Consistent with Both Early and Late Transition Metal Systems (open access)

Chemistry Surrounding Monomeric Copper(l) Methyl, Phenyl, Anilido, Ethoxide, and Phenoxide Complexes Supported by N-Heterocyclic Carbene Ligands: Reactivity Consistent with Both Early and Late Transition Metal Systems

Article on chemistry surrounding monomeric copper(I) methyl, phenyl, anilido, ethoxide, and phenoxide complexes supported by N-heterocyclic carbene ligands.
Date: September 27, 2006
Creator: Goj, Laurel A.; Blue, Elizabeth D.; Delp, Samuel A.; Gunnoe, T. Brent; Cundari, Thomas R., 1964-; Pierpont, Aaron W. et al.
Object Type: Article
System: The UNT Digital Library
Comments concerning the 'solubility of buckminsterfullerene in tetrahydrofuran, thiophene, tetrahydrothiophene, 1,2-dichlorobenzene, 1,2,4-trichlorobenzene and n-butylamine' (open access)

Comments concerning the 'solubility of buckminsterfullerene in tetrahydrofuran, thiophene, tetrahydrothiophene, 1,2-dichlorobenzene, 1,2,4-trichlorobenzene and n-butylamine'

Article commenting on the 'solubility of buckminsterfullerene in tetrahydrofuran, thiophene, tetrahydrothiophene, 1,2-dichlorobenzene, 1,2,4-trichlorobenzene and n-butylamine.'
Date: September 2000
Creator: Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Comments on "Solvation Parameters. 2. A Simplified Molecular Topology to Generate Easily Optimized Values" (open access)

Comments on "Solvation Parameters. 2. A Simplified Molecular Topology to Generate Easily Optimized Values"

This article provides comments on "Solvation Parameters. 2. A Simplified Molecular Topology to Generate Easily Optimized Values," published in the Journal of Chemical Information and Modeling.
Date: September 8, 2006
Creator: Mintz, Christina; Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.)
Object Type: Article
System: The UNT Digital Library
Rate coefficients and mechanistic analysis for reaction of OH with vinyl chloride between 293 and 730 K (open access)

Rate coefficients and mechanistic analysis for reaction of OH with vinyl chloride between 293 and 730 K

Article on rate coefficients and mechanistic analysis for reaction of OH with vinyl chloride between 293 and 730 K.
Date: September 21, 2001
Creator: Yamada, Takahiro; Siraj, Mohammad Masud, 1972-; Taylor, Philip H.; Peng, Jingping; Hu, Xiaohua & Marshall, Paul
Object Type: Article
System: The UNT Digital Library
Enthalpy of Solvation Correlations for Gaseous Solutes Dissolved in Chloroform and 1,2-dichloroethane Based on the Abraham Model (open access)

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

This article discusses 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.)
Object Type: Article
System: The UNT Digital Library
An exploratory study of alkali sulfate aerosol formation during biomass combustion (open access)

An exploratory study of alkali sulfate aerosol formation during biomass combustion

Article on an exploratory study of alkali sulfate aerosol formation during biomass combustion.
Date: September 25, 2007
Creator: Hindiyarti, Lusi; Frandsen, Flemming; Livbjerg, Hans; Glarborg, Peter & Marshall, Paul
Object Type: Article
System: The UNT Digital Library
Films for Use in Microelectronic Devices and Methods of Producing Same (open access)

Films for Use in Microelectronic Devices and Methods of Producing Same

Patent relating to the use of films in microelectronic devices and methods of producing same.
Date: April 10, 1998
Creator: Kelber, Jeffry A.
Object Type: Patent
System: The UNT Digital Library
Solvation Descriptors for Ferrocene, and the Estimation of Some Physicochemical and Biochemical Properties (open access)

Solvation Descriptors for Ferrocene, and the Estimation of Some Physicochemical and Biochemical Properties

Article on solvation descriptors for ferrocene, and the estimation of some physiochemical and biochemical properties.
Date: September 18, 2000
Creator: Abraham, M. H. (Michael H.); Benjellou-Dakhama, Nora; Gola, Joelle R. M.; Acree, William E. (William Eugene); Cain, William S. & Cometto-Muñiz, J. Enrique
Object Type: Article
System: The UNT Digital Library
Chemical Toxicity Correlations for Several Fish Species Based on the Abraham Solvation Parameter Model (open access)

Chemical Toxicity Correlations for Several Fish Species Based on the Abraham Solvation Parameter Model

Article on chemical toxicity correlations for several fish species based on the Abraham solvation parameter model.
Date: September 1, 2005
Creator: Hoover, Kaci R.; Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.)
Object Type: Article
System: The UNT Digital Library

Experimental Thermochemical Study of 6-Chloro-2,3-dimethylquinoxaline 1,4-dioxide and DFT evaluation of the N-O bond enthalpies in related haloquinoxalines

Access: Use of this item is restricted to the UNT Community
Article discussing an experimental thermochemical study of 6-chloro-2,3-dimethylquinoxaline 1,4-dioxide and DFT evaluation of the N-O bond enthalpies in related haloquinoxalines.
Date: September 13, 2007
Creator: Gomes, José R. B.; Vieira, Mónica A. A.; Stovall, Dawn M.; Acree, William E. (William Eugene) & Silva, Maria D. M. C. Ribeiro da
Object Type: Article
System: The UNT Digital Library
Octahedral [TpRu(PMe3)2OR]n+ Complexes (Tp = hydridotris(pyrazolyl)borate; R = H or Ph; n = 0 or 1): Reactions at Ru(II) and Ru(III) Oxidation States with Substrates that Possess Carbon-Hydrogen Bonds (open access)

Octahedral [TpRu(PMe3)2OR]n+ Complexes (Tp = hydridotris(pyrazolyl)borate; R = H or Ph; n = 0 or 1): Reactions at Ru(II) and Ru(III) Oxidation States with Substrates that Possess Carbon-Hydrogen Bonds

This article discusses octahedral [TpRu(PMe3)2OR]n+ Complexes (Tp = hydridotris(pyrazolyl)borate.
Date: September 15, 2006
Creator: Feng, Yuee; Gunnoe, T. Brent; Grimes, Thomas V. & Cundari, Thomas R., 1964-
Object Type: Article
System: The UNT Digital Library
Mathematical representation of solubility of amino acids in binary aqueous-organic solvent mixtures at various temperatures using the Jouyban-Acree model (open access)

Mathematical representation of solubility of amino acids in binary aqueous-organic solvent mixtures at various temperatures using the Jouyban-Acree model

Article on mathematical representation of solubility of amino acids in binary aqueous-organic solvent mixtures at various temperatures using the Jouyban-Acree model.
Date: September 1, 2006
Creator: Jouyban, Abolghasem; Khoubnasabjafari, Maryam; Chan, Hak-Kim & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library