Erratum: First-Principles Theory of Correlated Transport through Nanojunctions [Phys. Rev. Lett. 94, 116802 (2005)] (open access)

Erratum: First-Principles Theory of Correlated Transport through Nanojunctions [Phys. Rev. Lett. 94, 116802 (2005)]

This article provides the correction of an equation that was misprinted in Physical Review Letters 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.
Object Type: Article
System: The UNT Digital Library
Ligand-field effects for the 3p photoelectron spectra of Cr2O3 (open access)

Ligand-field effects for the 3p photoelectron spectra of Cr2O3

This article discusses ligand-field effects for the 3p photoelectron spectra of Cr2O3.
Date: May 28, 2004
Creator: Bagus, Paul S.; Ilton, Eugene S. & Rustad, James R.
Object Type: Article
System: The UNT Digital Library
Many-body effects in the 4f x-ray photoelectron spectroscopy of the U5+ and U4+ free ions (open access)

Many-body effects in the 4f x-ray photoelectron spectroscopy of the U5+ and U4+ free ions

This article discusses many-body effects in the 4f x-ray photoelectron spectroscopy of the U5+ and U4+ free ions.
Date: May 31, 2005
Creator: Ilton, Eugene S. & Bagus, Paul S.
Object Type: Article
System: The UNT Digital Library
The Dissociation Enthalpies of Terminal (N--O) Bonds in Organic Compounds (open access)

The Dissociation Enthalpies of Terminal (N--O) Bonds in Organic Compounds

Article on the dissociation enthalpies of terminal (N-O) bonds in organic compounds.
Date: May 27, 2005
Creator: Acree, William E. (William Eugene); Pilcher, Geoffrey & Silva, Maria D. M. C. Ribeiro da
Object Type: Article
System: The UNT Digital Library
Hydrogen-Deuerium Exchange between TpRu(PMe3)(L)X (L = PMe3 and X = OH, OPh, Me, Ph, or NHPh; L = NCMe and X = Ph) and Deuterated Arene Solvents: Evidence for Metal-Mediated Processes (open access)

Hydrogen-Deuerium Exchange between TpRu(PMe3)(L)X (L = PMe3 and X = OH, OPh, Me, Ph, or NHPh; L = NCMe and X = Ph) and Deuterated Arene Solvents: Evidence for Metal-Mediated Processes

This article discusses evidence for metal-mediated processes.
Date: May 24, 2006
Creator: Feng, Yuee; Lail, Marty; Foley, Nicholas A.; Gunnoe, T. Brent; Barakat, Khaldoon A.; Cundari, Thomas R., 1964- et al.
Object Type: Article
System: The UNT Digital Library
Comparative Reactivity of TpRu(L)(NCMe)Ph (L = CO or PMe3): Impact of Ancillary Ligand L on Activation of Carbon-Hydrogen Bonds Including Catalytic Hydroarylation and Hydrovinylation/Oligomerization of Ethylene (open access)

Comparative Reactivity of TpRu(L)(NCMe)Ph (L = CO or PMe3): Impact of Ancillary Ligand L on Activation of Carbon-Hydrogen Bonds Including Catalytic Hydroarylation and Hydrovinylation/Oligomerization of Ethylene

Article discussing research on the comparative reactivity of TpRu(L)(NCMe)Ph (L = CO or PMe3) and the impact of ancillary ligand L on activation of carbon-hydrogen bonds including catalytic hydroarylation and hyrdovinylation/oligomerization of ethylene.
Date: May 9, 2007
Creator: Foley, Nicholas A.; Lail, Marty; Lee, John P.; Gunnoe, T. Brent; Cundari, Thomas R., 1964- & Petersen, Jeffrey L.
Object Type: Article
System: The UNT Digital Library
3-Center-4-Electron Bonding in [(silox)2Mo=NtBu]2(μ-Hg) Controls Reactivity while Frontier Orbitals Permit a Dimolybdenum π-Bond Energy Estimate (open access)

3-Center-4-Electron Bonding in [(silox)2Mo=NtBu]2(μ-Hg) Controls Reactivity while Frontier Orbitals Permit a Dimolybdenum π-Bond Energy Estimate

Article describing research on 3-center-4-electron bonding in [(silox)2Mo=NtBu]2(mu-Hg).
Date: May 18, 2005
Creator: Rosenfeld, Devon C.; Wolczanski, Peter T.; Barakat, Khaldoon A.; Buda, Corneliu & Cundari, Thomas R., 1964-
Object Type: Article
System: The UNT Digital Library
Solubility of Anthracene in Ternary Methyl tert-Butyl Ether + Alcohol + Cyclohexane Solvent Mixtures at 298.15 K (open access)

Solubility of Anthracene in Ternary Methyl tert-Butyl Ether + Alcohol + Cyclohexane Solvent Mixtures at 298.15 K

Article on the solubility of anthracene in ternary methyl tert-butyl ether + alcohol + cyclohexane solvent mixtures at 298.15 K.
Date: May 5, 2000
Creator: Pribyla, Karen J.; Spurgin, Michael A.; Chuca, Ivette & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Thermochemical and Theoretical Studies of Dimethylpyridine-2,6-dicarboxylate and Pyridine-2,3-, Pyridine-2,5-, and Pyridine-2,6-dicarboxylic Acids (open access)

Thermochemical and Theoretical Studies of Dimethylpyridine-2,6-dicarboxylate and Pyridine-2,3-, Pyridine-2,5-, and Pyridine-2,6-dicarboxylic Acids

Article discussing thermochemical and theoretical studies of dimethylpyridine-2,6-dicarboxylate and pyridine-2,3-, pyridine-2,5- and pyridine-2,6-dicarboxylic acids.
Date: May 6, 2005
Creator: Matos, M. Agostinha R.; Morais, Victor M. F.; Silva, Maria D. M. C. Ribeiro da; Marques, Marta C. F.; Sousa, Emanuel A.; Castiñeiras, Jorge P. et al.
Object Type: Article
System: The UNT Digital Library
Solubility of Anthracene in Binary Alcohol + Methyl Acetate Solvent Mixtures at 298.2 K (open access)

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

Article on the solubility of anthracene in binary alcohol + methyl acetate solvent mixtures at 298.2 K.
Date: May 19, 2001
Creator: Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Rate coefficients and product branching measurements for the reaction OH + bromopropane from 230 to 360 K (open access)

Rate coefficients and product branching measurements for the reaction OH + bromopropane from 230 to 360 K

Article on rate coefficient and product branching measurements for the reaction OH + bromopropane from 230 to 360 K.
Date: May 8, 2002
Creator: Gilles, Mary K.; Burkholder, James B. (James Bart), 1954-; Gierczak, Tomasz; Marshall, Paul & Ravishankara, A. R.
Object Type: Article
System: The UNT Digital Library
An investigation of the reaction of CH₃S with CO (open access)

An investigation of the reaction of CH₃S with CO

Article on an investigation of the reaction of CH₃S with CO.
Date: May 21, 2004
Creator: Koch, L. C.; Marshall, Paul & Ravishankara, A. R.
Object Type: Article
System: The UNT Digital Library
Quantitative Computational Thermochemistry of Transition Metal Species (open access)

Quantitative Computational Thermochemistry of Transition Metal Species

This article discusses quantitative computational thermochemistry of transition metal species. The correlation consistent Composite Approach (ccCA), which has been shown to achieve chemical accuracy (±1 kcal mol⁻¹) for a large benchmark set of main group and s-block metal compounds, is used to compute enthalpies of formation for a set of 17 3d transition metal species.
Date: May 15, 2007
Creator: DeYonker, Nathan J.; Peterson, Kirk A.; Steyl, Gideon; Wilson, Angela K. & Cundari, Thomas R., 1964-
Object Type: Article
System: The UNT Digital Library
Conductor Structures Including Penetrable Materials (open access)

Conductor Structures Including Penetrable Materials

Patent relating to conductors used in electronic components and related fabrication methods, and more particularly to metal conductors for use in electronic components created by deposition of metals and related fabrication methods.
Date: February 24, 2004
Creator: Kelber, Jeffry A.; Lei, Jipu; Magtoto, Noel P. & Rudenja, Sergei
Object Type: Patent
System: The UNT Digital Library
Calculation of the Viscosity of Binary Liquids at Various Temperatures Using Jouyban-Acree Model (open access)

Calculation of the Viscosity of Binary Liquids at Various Temperatures Using Jouyban-Acree Model

Article discussing the calculation of the viscosity of binary liquids at various temperatures using Jouyban-Acree model.
Date: May 1, 2005
Creator: Jouyban, Abolghasem; Khoubnasabjafari, Maryam; Vaez-Gharamaleki, Zahra; Fekari, Zohreh & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Kinetic studies of the reactions of hydroxyl radicals with the methyl-substituted silanes SiHn (CH₃)₄-n (n=0 to 4) at room temperature (open access)

Kinetic studies of the reactions of hydroxyl radicals with the methyl-substituted silanes SiHn (CH₃)₄-n (n=0 to 4) at room temperature

Article on kinetic studies of the reactions of hydroxyl radicals with the methyl-substituted silanes SiHn (CH3)4-n (n=0 to 4) at room temperature.
Date: May 20, 2003
Creator: Goumri, Abdellatif; Yuan, Jessie; Hommel, Elizabeth L. & Marshall, Paul
Object Type: Article
System: The UNT Digital Library
Correlation of retention factor of analytes in quaternary solvent mobile phases using the Jouyban-Acree model (open access)

Correlation of retention factor of analytes in quaternary solvent mobile phases using the Jouyban-Acree model

Article on the correlation of retention factor of analytes in quaternary solvent mobile phases using the Jouyban-Acree model.
Date: May 1, 2006
Creator: Hanaee, Jalal; Jouyban, Abolghasem; Rashidi, M. R.; Esnaashari, Solmaz & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library