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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-
System:
The UNT Digital Library
Air to Blood Distribution of Volatile Organic Compounds: A Linear Free Energy Analysis
Article on air to blood distribution of volatile organic compounds and a linear free energy analysis.
Date:
April 23, 2005
Creator:
Abraham, M. H. (Michael H.); Ibrahim, Adam & Acree, William E. (William Eugene)
System:
The UNT Digital Library
Band Structure and Quantum Conductance of Nanostructures from Maximally Localized Wannier Functions: The Case of Functionalized Carbon Nanotubes
Article on band structure and quantum conductance of nanostructures from maximally localized Wannier functions.
Date:
August 12, 2005
Creator:
Lee, Young-Su; Buongiorno Nardelli, Marco & Marzari, Nicola
System:
The UNT Digital Library
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)
System:
The UNT Digital Library
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.)
System:
The UNT Digital Library
A computational study of the thermochemistry of bromine- and iodine-containing methanes and methyl radicals
Article on a computational study of the thermochemistry of bromine- and iodine-containing methanes and methyl radicals.
Date:
June 28, 2005
Creator:
Marshall, Paul; Srinivas, G. N. & Schwartz, Martin
System:
The UNT Digital Library
Conversions of Ruthenium (III) Alkyl Complexes to Ruthenium (II) through Ru-Calkyl Bond Homolysis
This article discusses conversions of Ruthenium(III) alkyl complexes.
Date:
February 12, 2005
Creator:
Lail, Marty; Gunnoe, T. Brent; Barakat, Khaldoon A. & Cundari, Thomas R., 1964-
System:
The UNT Digital Library
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
System:
The UNT Digital Library
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
System:
The UNT Digital Library
Edmonds et al. Reply
This article is a response to an article by M. Adell et al. [Phy. Rev. Lett. 94, 139701 (2005)] about semiconductor-based spintronics research.
Date:
April 8, 2005
Creator:
Edmonds, Kevin; Boguslawski, Piotr; Wang, K. Y.; Campion, Richard Paul; Novikov, Sergei; Farley, N. R. S. et al.
System:
The UNT Digital Library
Energetics of the N-O Bonds in 2-Hydroxyphenazine-di-N-oxide
Article on energetics of the N-O bonds in 2-hydroxyphenazine-di-N-oxide.
Date:
July 29, 2005
Creator:
Gomes, José R. B.; Sousa, Emanuel A.; Gonçalves, Jorge M.; Monte, Manuel J. S.; Gomes, Paula; Pandey, Siddharth et al.
System:
The UNT Digital Library
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.
System:
The UNT Digital Library
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.
System:
The UNT Digital Library
First-Principles Theory of Correlated Transport through Nanojunctions
Article on the 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.
System:
The UNT Digital Library
A General Treatment of Solubility. 3. Principal Component Analysis (PCA) of the Solubilities of Diverse Solutes in Diverse Solvents
Article discussing a general treatment of solubility and principle component analysis (PCA) of the solubilities of diverse solutes in diverse solvents.
Date:
June 7, 2005
Creator:
Katritzky, Alan R.; Tulp, Indrek; Fara, Dan C.; Lauria, Antonino; Maran, Uko, 1966- & Acree, William E. (William Eugene)
System:
The UNT Digital Library
Investigating the Potential of Multi-Interference Pigments in Relation to Perceived Iridescence in Art and Nature
Paper explores the scientific and artistic nature of iridescence as a quality occurring in both nature and technology.
Date:
2005
Creator:
Craney, Bethany
System:
The UNT Digital Library
A kinetic study of the reaction of atomic oxygen with SO₂
Article on a kinetic study of the reaction of atomic oxygen with SO₂.
Date:
2005
Creator:
Naidoo, Jacinth; Goumri, Abdellatif & Marshall, Paul
System:
The UNT Digital Library
Low-Coordinate Chromium Siloxides: The "Box" [Cr(μ-OSitBu3)]4, Distorted Trigonal [(tBu3SiO)3Cr] [Na(benzene)] and [(tBu3SiO)3Cr] [Na(dibenzo-18-c-6)], and Trigonal (tBu3SiO)3Cr
Article discussing low-coordinate chromium siloxides and the "box" [Cr(μ-Cl)(μ-OSiᵗBu₃)]₄, distorted trigonal [(ᵗBu₃SiO)₃Cr][Na(benzene)] and [(ᵗBu₃SiO)₃Cr][Na(dibenzo-18-c-6)], and trigonal (ᵗBu₃SiO)₃Cr.
Date:
March 24, 2005
Creator:
Sydora, Orson L.; Wolczanski, Peter T.; Lobkovsky, Emil B.; Buda, Corneliu & Cundari, Thomas R., 1964-
System:
The UNT Digital Library
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.
System:
The UNT Digital Library
Mathematical Representation of Solubility of Electrolytes in Binary Solvent Mixtures Using Jouyban-Acree Model
Article discussing the mathematical representation of the solubility of electrolytes in binary solvent mixtures using the Jouyban-Acree model.
Date:
December 1, 2005
Creator:
Khoubnasabjafari, Maryam; Jouyban, Abolghasem & Acree, William E. (William Eugene)
System:
The UNT Digital Library
Mathematical representation of solute solubility in binary mixture of supercritical fluids by the Jouyban-Acree model
Article on the mathematical representation of solute solubility in binary mixture of supercritical fluids by the Jouyban-Acree model.
Date:
July 1, 2005
Creator:
Jouyban, Abolghasem; Khoubnasabjafari, Maryam & Acree, William E. (William Eugene)
System:
The UNT Digital Library
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.
System:
The UNT Digital Library
Modelling of Retention Factors of Analytes in Chromatography with Ternary Solvent Mobile Phases
Article on the modelling of retention factors of analytes in chromatography with ternary solvent mobile phases.
Date:
January 2005
Creator:
Jouyban, Abolghasem; Vaez-Gharamaleki, Zahra; Matin, A. A.; Djozan, Djavanshir & Acree, William E. (William Eugene)
System:
The UNT Digital Library
Rediscovery of the Elements: Agricola
Article describing the career and discoveries of Georgius Agricola. Tourist information regarding locations important to his life are visited and discussed.
Date:
Autumn 2005
Creator:
Marshall, James L., 1940- & Marshall, Virginia R.
System:
The UNT Digital Library