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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
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
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
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
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
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
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
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
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
Comparative Plant Genomics Resources at Plant GDB
Article on comparative plant genomics resources at plant GDB.
Date:
October 2005
Creator:
Dong, Qunfeng; Lawrence, Carolyn J.; Schlueter, Shannon D.; Wilkerson, Matthew D.; Kurtz, Stefan; Brendel, Volker et al.
Object Type:
Article
System:
The UNT Digital Library
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
Correlation and prediction of partition coefficients between the gas phase and water, and the solvents dodecane and undecane
Article on the correlation and prediction of partition coefficients between the gas phase and water, and the solvents dodecane and undecane.
Date:
October 29, 2004
Creator:
Abraham, M. H. (Michael H.) & Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Detection of invisible and crucial events: from seismic fluctuations to the war against terrorism
Paper discussing the detection of invisible and crucial events.
Date:
October 28, 2003
Creator:
Allegrini, Paolo; Fronzoni, Leone; Grigolini, Paolo; Latora, Vito; Mega, Mirko S.; Palatella, Luigi et al.
Object Type:
Paper
System:
The UNT Digital Library
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
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
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
Film for Use in Microelectronic Devices and Methods of Producing Same
Patent relating to film for use in microelectronic devices and methods of producing same.
Date:
July 27, 2000
Creator:
Kelber, Jeffry A.
Object Type:
Patent
System:
The UNT Digital Library
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
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
A General Treatment of Solubility. 1. The QSPR Correlation of Solvation Free Energies of Single Solutes in Series of Solvents
Article on a general treatment of solubility and the quantitative structure-property relationship (QSPR) correlation of solvation free energies of single solutes in series of solvents.
Date:
October 2, 2003
Creator:
Katritzky, Alan R.; Oliferenko, Alexander A.; Oliferenko, Polina V.; Petrukhin, Ruslan; Tatham, Douglas B.; Maran, Uko, 1966- et al.
Object Type:
Article
System:
The UNT Digital Library
A General Treatment of Solubility. 2. QSPR Prediction of Free Energies of Solvation of Specified Solutes in Ranges of Solvents
Article on a general treatment of solubility and quantitative structure-property relationship (QSPR) prediction of free energies of solvation of specified solutes in ranges of solvents.
Date:
October 1, 2003
Creator:
Katritzky, Alan R.; Oliferenko, Alexander A.; Oliferenko, Polina V.; Petrukhin, Ruslan; Tatham, Douglas B.; Maran, Uko, 1966- et al.
Object Type:
Article
System:
The UNT Digital Library
Inhibition of K+ currents of outer hair cells in guinea pig cochlea by fluoxetine
Article discussing the inhibition of K+ currents of outer hair cells in guinea pig cochlea by fluoxetine.
Date:
October 25, 2002
Creator:
Bian, Jing-Tan; Yeh, Jay Z.; Aistrup, Gary L.; Narahashi, Toshio & Moore, Ernest J.
Object Type:
Article
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
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
Mechanism and modeling of the formation of gaseous alkali sulfates
Article on the mechanism and modeling of the formation of gaseous alkali sulfates.
Date:
October 13, 2004
Creator:
Glarborg, Peter & Marshall, Paul
Object Type:
Article
System:
The UNT Digital Library