First-principles investigations of the dielectric properties of polypropylene/metal-oxide interfaces (open access)

First-principles investigations of the dielectric properties of polypropylene/metal-oxide interfaces

Article on first-principles investigations of the dielectric properties of polypropylene/metal-oxide interfaces. Nanoscale-resolved dielectric properties of polypropylene/metal-oxide (alumina, PbTiO₃) interfaces and of the corresponding surfaces are investigated via first-principles calculations.
Date: October 30, 2009
Creator: Yu, Liping; Ranjan, Vivek; Buongiorno Nardelli, Marco & Bernholc, Jerry
Object Type: Article
System: The UNT Digital Library
Optically Selected BL Lacertae Candidates from the Sloan Digital Sky Survey Data Release Seven (open access)

Optically Selected BL Lacertae Candidates from the Sloan Digital Sky Survey Data Release Seven

This article presents a sample of 723 optically selected BL Lac candidates from the Sloan Digital Sky Survey Data Release 7 spectroscopic database.
Date: October 30, 2009
Creator: Plotkin, Richard M.; Anderson, Scott F.; Brandt, William Nielsen; Diamond-Stanic, Aleksandar M.; Fan, Xiaohui; Hall, Patrick B. et al.
Object Type: Article
System: The UNT Digital Library
Analysis of Auditory Measures in Normal Hearing Young Male Adult Cigarette Smokers Using Multiple Variable Selection Methods with Predictive Validation Assessments (open access)

Analysis of Auditory Measures in Normal Hearing Young Male Adult Cigarette Smokers Using Multiple Variable Selection Methods with Predictive Validation Assessments

Article on an analysis of auditory measures in normal hearing young male adult cigarette smokers using multiple variable selection methods with predictive validation assessments.
Date: October 25, 2009
Creator: Gopal, Kamakshi V.; Herrington, Richard & Pearce, Jacquelin
Object Type: Article
System: The UNT Digital Library
Solubility of 5-(2-Chlorophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one, 7-Chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one, and 6-(2,3-Dichlorophenyl)-1,2,4-triazine-3,5-diamine in the Mixtures of Poly(ethylene glycol) 600, Ethanol, and Water at a Temperature of 298.2 K (open access)

Solubility of 5-(2-Chlorophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one, 7-Chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one, and 6-(2,3-Dichlorophenyl)-1,2,4-triazine-3,5-diamine in the Mixtures of Poly(ethylene glycol) 600, Ethanol, and Water at a Temperature of 298.2 K

Article on the solubility of 5-(2-chlorophenyl)-7-nitro-1, 3-dihydro-1, 4-benzodiazepin-2-one, 7-chloro-1-methyl-5-phenyl-3H-1, 4-benzodiazepin-2-one, and 6-(2,3-dichlorophenyl)-1, 2, 4,-triazine-3, 5-diamine in the mixtures of poly(ethylene glycol) 600, ethanol, and water at temperature of 298.2 K.
Date: October 23, 2009
Creator: Soltanpour, Shahla; Acree, William E. (William Eugene) & Jouyban, Abolghasem
Object Type: Article
System: The UNT Digital Library
Activation of Carbon-Hydrogen and Hydrogen-Hydrogen Bonds by Copper-Nitrenes: A Comparison of Density Functionality Theory with Single- and Multireference Correlation Consistent Composite Approaches (open access)

Activation of Carbon-Hydrogen and Hydrogen-Hydrogen Bonds by Copper-Nitrenes: A Comparison of Density Functionality Theory with Single- and Multireference Correlation Consistent Composite Approaches

Article on a comparison of density functional theory with single- and multireference correlation consistent composite approaches (ccCA).
Date: October 19, 2009
Creator: Tekarli, Sammer M.; Williams, T. Gavin & Cundari, Thomas R., 1964-
Object Type: Article
System: The UNT Digital Library
Solubility of Pioglitazone Hydrochloride in Aqueous Solutions of Ethanol, Propylene Glycol, and N-Methyl-2-Pyrrolidone at 298.2°K (open access)

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

Article on the solubility of pioglitazone hydrochloride in aqueous solutions of ethanol, propylene glycol, and n-methyl-2-pyrrolidone at 298°K.
Date: October 16, 2009
Creator: Soltanpour, Shahla; Acree, William E. (William Eugene) & Jouyban, Abolghasem
Object Type: Article
System: The UNT Digital Library
Calculations Predict a Large Inverse H/D Kinetic Isotope Effect on the Rate of Tunneling in the Ring Opening of Cyclopropylcarbinyl Radical (open access)

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

Article on calculations predicting 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.
Object Type: Article
System: The UNT Digital Library
The Use of Videophones for Patient and Family Participation in Hospice Interdisciplinary Team Meetings: A Promising Approach (open access)

The Use of Videophones for Patient and Family Participation in Hospice Interdisciplinary Team Meetings: A Promising Approach

Article on the use of videophones for patient and family participation in hospice interdisciplinary team meetings.
Date: October 14, 2009
Creator: Oliver, Debra Parker; Demiris, George; Wittenberg-Lyles, Elaine & Porock, Davina, Ph. D.
Object Type: Article
System: The UNT Digital Library
Process for Synthesizing Oil and Surfactant-free Hyaluronic Acid Nanoparticles and Microparticles (open access)

Process for Synthesizing Oil and Surfactant-free Hyaluronic Acid Nanoparticles and Microparticles

Patent relating to a process for synthesizing oil and surfactant-free hyaluronic acid nanoparticles and microparticles.
Date: November 3, 2004
Creator: Hu, Zhibing; Xia, Xiaohu & Tang, Liping
Object Type: Patent
System: The UNT Digital Library
It's not too Late for the Harpy Eagle (Harpia harpyja): High Levels of Genetic Diversity and Differentiation Can Fuel Conservation Programs (open access)

It's not too Late for the Harpy Eagle (Harpia harpyja): High Levels of Genetic Diversity and Differentiation Can Fuel Conservation Programs

Article on the harpy eagle (Harpia harpyja) and how high levels of genetic diversity and differentiation can fuel conservation programs.
Date: October 5, 2009
Creator: Lerner, Heather R. L.; Johnson, Jeff A.; Lindsay, Alec R.; Kiff, Lloyd F. & Mindell, David P.
Object Type: Article
System: The UNT Digital Library
Four-Coordinate Mo(II) as (silox)2Mo(PMe3)2 and Its W(IV) Congener (silox)2HW(ɳ2-CH2PMe2) (silox = tBu3SiO) (open access)

Four-Coordinate Mo(II) as (silox)2Mo(PMe3)2 and Its W(IV) Congener (silox)2HW(ɳ2-CH2PMe2) (silox = tBu3SiO)

Article discussing four-coordinate Mo(II) as (silox)₂Mo(PMe₃)₂ and its W(IV) Congener (silox)₂HW(ɳ²-CH₂PMe₂)(PMe₃) (silox = ᵗBu₃SiO).
Date: October 21, 2008
Creator: Kuiper, David S.; Wolczanski, Peter T.; Lobkovsky, Emil B. & Cundari, Thomas R., 1964-
Object Type: Article
System: The UNT Digital Library
Bonding and Structure of Copper Nitrenes (open access)

Bonding and Structure of Copper Nitrenes

Article discussing research on the bonding and structure of copper nitrenes.
Date: October 4, 2008
Creator: Cundari, Thomas R., 1964- & Dinescu, Adriana
Object Type: Article
System: The UNT Digital Library
Biosynthesis and genetic engineering of proanthocyanidins and (iso)flavonoids (open access)

Biosynthesis and genetic engineering of proanthocyanidins and (iso)flavonoids

Article on biosynthesis and genetic engineering of proanthocyanidins and (iso)flavonoids.
Date: October 2008
Creator: Tian, Li; Pang, Yongzhen & Dixon, R. A.
Object Type: Article
System: The UNT Digital Library
Biodiversity Of Southernmost Forests And Tundra Ecosystems (open access)

Biodiversity Of Southernmost Forests And Tundra Ecosystems

Article discussing research on the biodiversity of the dominant vegetation in the world's southernmost forests and tundra ecosystems.
Date: October 26, 2007
Creator: Rozzi, Ricardo, 1960-; Massardo, Francisca; Anderson, Christopher B.; Armesto, Juan J., 1953-; Goffinet, Bernard; Silander, John August, 1945- et al.
Object Type: Article
System: The UNT Digital Library
Characterization of the sorption of gaseous and organic solutes onto polydimethyl siloxane solid-phase microextraction surfaces using the Abraham model (open access)

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

Article on the characterization of the sorption of gaseous and organic solutes onto polydimethyl siloxane solid-phase microextraction surfaces using the Abraham model.
Date: October 25, 2007
Creator: Sprunger, Laura M.; Proctor, Amy; Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.)
Object Type: Article
System: The UNT Digital Library
Performance of the correlation consistent composite approach for transition states: A comparison to G3B theory (open access)

Performance of the correlation consistent composite approach for transition states: A comparison to G3B theory

This article discusses performance of the correlation consistent composite approach for transition states.
Date: October 19, 2007
Creator: Grimes, Thomas V.; Wilson, Angela K.; DeYonker, Nathan J. & Cundari, Thomas R., 1964-
Object Type: Article
System: The UNT Digital Library
Activation of Carbon-Hydrogen Bonds via 1,2-Addition across M-X (X = OH or NH2) Bonds of d6 Transition Metals as a Potential Key Step in Hydrocarbon Functionalization: A Computational Study (open access)

Activation of Carbon-Hydrogen Bonds via 1,2-Addition across M-X (X = OH or NH2) Bonds of d6 Transition Metals as a Potential Key Step in Hydrocarbon Functionalization: A Computational Study

Article discussing a computational study on the activation of carbon-hydrogen bonds via 1,2-addition across M-X (X = OH or NH2) bonds of d6 transition metals as a potential key step in hydrocarbon functionalization.
Date: October 6, 2007
Creator: Cundari, Thomas R., 1964-; Grimes, Thomas V. & Gunnoe, T. Brent
Object Type: Article
System: The UNT Digital Library
Electron localization in a two-channel tight-binding model with correlated disorder (open access)

Electron localization in a two-channel tight-binding model with correlated disorder

This article discusses electron localization in a two-channel tight-binding model with correlated disorder.
Date: October 5, 2007
Creator: Bagci, V. M. K. & Krokhin, Arkadii A.
Object Type: Article
System: The UNT Digital Library
Combined Experimental and Computational Study of TpRu{P(pyr)3} (NCMe)Me (pyr = N-pyrrolyl): Inter- and Intramolecular Activation of C-H Bonds and the Impact of Sterics on Catalytic Hydroarylation of Olefins (open access)

Combined Experimental and Computational Study of TpRu{P(pyr)3} (NCMe)Me (pyr = N-pyrrolyl): Inter- and Intramolecular Activation of C-H Bonds and the Impact of Sterics on Catalytic Hydroarylation of Olefins

This article discusses a combined experimental and computational study of TpRu{P(pyr)3} (NCMe)Me (pyr = N-pyrrolyl).
Date: October 4, 2007
Creator: Foley, Nicholas A.; Lail, Marty; Gunnoe, T. Brent; Cundari, Thomas R., 1964-; Boyle, Paul D. & Petersen, Jeffrey L.
Object Type: Article
System: The UNT Digital Library
Computational s-Block Thermochemistry with the Correlation Consistent Composite Approach (open access)

Computational s-Block Thermochemistry with the Correlation Consistent Composite Approach

Article discussing research on computational s-block thermochemistry with the correlation consistent composite approach, which has been shown to accurately compute gas-phase enthalapies of formation for alkali and alkaline earth metal oxides and hydroxides.
Date: October 3, 2007
Creator: DeYonker, Nathan J.; Ho, Dustin S.; Wilson, Angela K. & Cundari, Thomas R., 1964-
Object Type: Article
System: The UNT Digital Library
Le développement de l'identité féminine chez Françoise de Graffigny: Cénie et Lettres d'une Péruvienne (open access)

Le développement de l'identité féminine chez Françoise de Graffigny: Cénie et Lettres d'une Péruvienne

Article on the development of female identity in Françoise Graffigny.
Date: October 1, 2007
Creator: Kaplan, Marijn S.
Object Type: Article
System: The UNT Digital Library
Novel Metal Hydroxide Derivatives Containing Chemically Bound Organophosphorus or Polyphosphate Species as Flame Retardants (open access)

Novel Metal Hydroxide Derivatives Containing Chemically Bound Organophosphorus or Polyphosphate Species as Flame Retardants

Patent relating to novel metal hydroxide derivatives containing chemically bound organophosphorus or polyphosphate species as flame retardants.
Date: March 29, 2006
Creator: Braterman, Paul S.; D'Souza, Nandika & Dharia, Amit
Object Type: Patent
System: The UNT Digital Library
Effective dielectric constants of photonic crystal of aligned anisotropic cylinders and the optical response of a periodic array of carbon nanotubes (open access)

Effective dielectric constants of photonic crystal of aligned anisotropic cylinders and the optical response of a periodic array of carbon nanotubes

This article discusses effective dielectric constants of photonic crystal of aligned anisotropic cylanders and the optical response of a periodic array of carbon nanotubes.
Date: October 25, 2005
Creator: Reyes, E.; Krokhin, Arkadii A. & Roberts, James A.
Object Type: Article
System: The UNT Digital Library
Synthesis of the Five-Coordinate Ruthenium (II) Complexes [(PCP)Ru(CO)(L)][BAr'4] {PCP = 2,6-(CH2PtBu2)2 C6H3, BAr'4 = 3,5-(CF3)2C6H3, L= ɳ1-CICH2CI, ɳ 1-N2, or μ-Cl-Ru(PCP)(CO)}: Reactions with Phenyldiazomethane and Phenylacetylene (open access)

Synthesis of the Five-Coordinate Ruthenium (II) Complexes [(PCP)Ru(CO)(L)][BAr'4] {PCP = 2,6-(CH2PtBu2)2 C6H3, BAr'4 = 3,5-(CF3)2C6H3, L= ɳ1-CICH2CI, ɳ 1-N2, or μ-Cl-Ru(PCP)(CO)}: Reactions with Phenyldiazomethane and Phenylacetylene

Article discussing the synthesis of the five-coordinate ruthenium (II) complexes and reactions with phenyldiazomethane and phenylacetylene.
Date: October 6, 2005
Creator: Zhang, Jubo; Barakat, Khaldoon A.; Cundari, Thomas R., 1964-; Gunnoe, T. Brent; Boyle, Paul D.; Petersen, Jeffrey L. et al.
Object Type: Article
System: The UNT Digital Library