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  Partner: UNT College of Arts and Sciences
 Department: Chemistry
 Decade: 2000-2009
 Year: 2005
 Collection: UNT Scholarly Works
3-Center-4-Electron Bonding in [(silox)2Mo=NtBu]2(μ-Hg) Controls Reactivity while Frontier Orbitals Permit a Dimolybdenum π-Bond Energy Estimate

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

Date: May 18, 2005
Creator: Rosenfeld, Devon C.; Wolczanski, Peter T.; Barakat, Khaldoon A.; Buda, Corneliu & Cundari, Thomas R., 1964-
Description: Article describing research on 3-center-4-electron bonding in [(silox)2Mo=NtBu]2(mu-Hg).
Contributing Partner: UNT College of Arts and Sciences
Air to Blood Distribution of Volatile Organic Compounds: A Linear Free Energy Analysis

Air to Blood Distribution of Volatile Organic Compounds: A Linear Free Energy Analysis

Date: April 23, 2005
Creator: Abraham, M. H. (Michael H.); Ibrahim, Adam & Acree, William E. (William Eugene)
Description: Article on air to blood distribution of volatile organic compounds and a linear free energy analysis.
Contributing Partner: UNT College of Arts and Sciences
Band Structure and Quantum Conductance of Nanostructures from Maximally Localized Wannier Functions: The Case of Functionalized Carbon Nanotubes

Band Structure and Quantum Conductance of Nanostructures from Maximally Localized Wannier Functions: The Case of Functionalized Carbon Nanotubes

Date: August 12, 2005
Creator: Lee, Young-Su; Buongiorno Nardelli, Marco & Marzari, Nicola
Description: Article on band structure and quantum conductance of nanostructures from maximally localized Wannier functions.
Contributing Partner: UNT College of Arts and Sciences
Calculation of the Viscosity of Binary Liquids at Various Temperatures Using Jouyban-Acree Model

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

Date: May 2005
Creator: Jouyban, Abolghasem; Khoubnasabjafari, Maryam; Vaez-Gharamaleki, Zahra; Fekari, Zohreh & Acree, William E. (William Eugene)
Description: Article discussing the calculation of the viscosity of binary liquids at various temperatures using Jouyban-Acree model.
Contributing Partner: UNT College of Arts and Sciences
Chemical Toxicity Correlations for Several Fish Species Based on the Abraham Solvation Parameter Model

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.)
Description: Article on chemical toxicity correlations for several fish species based on the Abraham solvation parameter model.
Contributing Partner: UNT College of Arts and Sciences
Conversions of Ruthenium (III) Alkyl Complexes to Ruthenium (II) through Ru-Calkyl Bond Homolysis

Conversions of Ruthenium (III) Alkyl Complexes to Ruthenium (II) through Ru-Calkyl Bond Homolysis

Date: February 12, 2005
Creator: Lail, Marty; Gunnoe, T. Brent; Barakat, Khaldoon A. & Cundari, Thomas R., 1964-
Description: This article discusses conversions of Ruthenium(III) alkyl complexes.
Contributing Partner: UNT College of Arts and Sciences
The Dissociation Enthalpies of Terminal (N--O) Bonds in Organic Compounds

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
Description: Article on the dissociation enthalpies of terminal (N-O) bonds in organic compounds.
Contributing Partner: UNT College of Arts and Sciences
Dissociation of Water on Defective Carbon Substrates

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
Description: Article on the dissociation of water on defective carbon substrates.
Contributing Partner: UNT College of Arts and Sciences
Edmonds et al. Reply

Edmonds et al. Reply

Date: April 8, 2005
Creator: Edmonds, Kevin; Boguslawski, Piotr; Wang, K. Y.; Campion, Richard Paul; Novikov, Sergei; Farley, N. R. S. et al.
Description: This article is a response to an article by M. Adell et al. [Phy. Rev. Lett. 94, 139701 (2005)] about semiconductor-based spintronics research.
Contributing Partner: UNT College of Arts and Sciences
Erratum: First-Principles Theory of Correlated Transport through Nanojunctions [Phys. Rev. Lett. 94, 116802 (2005)]

Erratum: First-Principles Theory of Correlated Transport through Nanojunctions [Phys. Rev. Lett. 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.
Description: This article provides the correction of an equation that was misprinted in Physical Review Letters 94, 116802 (2005).
Contributing Partner: UNT College of Arts and Sciences
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