UNT College of Arts and Sciences - 36 Matching Results

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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-

Item Type: Article

open access

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)

Item Type: Article

open access

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

Item Type: Article

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)

Item Type: Article

open access

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.)

Item Type: Article

open access

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

Item Type: Article

open access

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-

Item Type: Article

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

Item Type: Article

open access

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

Item Type: Article

open access

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.

Item Type: Article

open access

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.

Item Type: Article

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.

Item Type: Article

open access

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.

Item Type: Article

open access

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.

Item Type: Article

open access

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)

Item Type: Article

open access

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

Item Type: Article

open access

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-

Item Type: Article

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.

Item Type: Article

open access

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)

Item Type: Article

open access

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)

Item Type: Article

open access

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.

Item Type: Article

open access

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)

Item Type: Article

open access

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.

Item Type: Article

open access

Rediscovery of the Elements: Carl Wilhelm Scheele

Article describing the career and discoveries of Carl Wilhelm Scheele. Tourist information regarding locations important to Scheele's life are visited and discussed.

Date: Spring 2005

Creator: Marshall, James L., 1940- & Marshall, Virginia R.

Item Type: Article

UNT College of Arts and Sciences - 36 Matching Results

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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

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

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

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

Chemical Toxicity Correlations for Several Fish Species Based on the Abraham Solvation Parameter Model

A computational study of the thermochemistry of bromine- and iodine-containing methanes and methyl radicals

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

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

Dissociation of Water on Defective Carbon Substrates

Edmonds et al. Reply

Energetics of the N-O Bonds in 2-Hydroxyphenazine-di-N-oxide

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

Evidence for the Net Addition of Arene C-H Bonds across a Ru(II)-Hydroxide Bond

First-Principles Theory of Correlated Transport through Nanojunctions

A General Treatment of Solubility. 3. Principal Component Analysis (PCA) of the Solubilities of Diverse Solutes in Diverse Solvents

A kinetic study of the reaction of atomic oxygen with SO₂

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

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

Mathematical Representation of Solubility of Electrolytes in Binary Solvent Mixtures Using Jouyban-Acree Model

Mathematical representation of solute solubility in binary mixture of supercritical fluids by the Jouyban-Acree model

Metal Effect on the Supramolecular Structure, Photophysics, and Acid-Base Character of Trinuclear Pyrazolato Coinage Metal Complexes

Modelling of Retention Factors of Analytes in Chromatography with Ternary Solvent Mobile Phases

Rediscovery of the Elements: Agricola

Rediscovery of the Elements: Carl Wilhelm Scheele