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36 Matching Results
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Studies of Low-Coordinate Iron Dinitrogen Complexes
This article discusses low-coordinate iron dinitrogen complexes. Understanding the interaction of N₂ with iron is relevant to the iron catalyst used in the Haber process and to possible roles of the FeMoco active site of nitrogenase.
Date:
December 31, 2005
Creator:
Smith, Jeremy M.; Sadique, Azwana R.; Cundari, Thomas R., 1964-; Rodgers, Kenton R.; Lukat-Rodgers, Gudrun; Lachicotte, Rene J. et al.
System:
The UNT Digital Library
Rediscovery of the Elements: Paracelsus
Article describing the career and discoveries of Phillippus Aureolus Theophrastus Paracelsus Bombastus von Hohenheim. Tourist information regarding locations important to his life are visited and discussed.
Date:
Winter 2005
Creator:
Marshall, James L., 1940- & Marshall, Virginia R.
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
Synthesis of the Five-Coordinate Ruthenium (II) Complexes [(PCP)Ru(CO)(L)][BAr'4] {PCP = 2,6-(CH2PtBu2)2 C6H3, BAr'4 = 3,5-(CF3)2C6H3, L= ɳ1-CICH2CI, ɳ 1-N2, or μ-Cl-Ru(PCP)(CO)}: Reactions with Phenyldiazomethane and Phenylacetylene
Article discussing the synthesis of the five-coordinate ruthenium (II) complexes and reactions with phenyldiazomethane and phenylacetylene.
Date:
October 6, 2005
Creator:
Zhang, Jubo; Barakat, Khaldoon A.; Cundari, Thomas R., 1964-; Gunnoe, T. Brent; Boyle, Paul D.; Petersen, Jeffrey L. et al.
System:
The UNT Digital Library
A T-Shaped Three-Coordinate Nickel(l) Carbonyl Complex and the Geometric Preferences of Three-Coordinate d9 Complexes
This article discusses a T-shaped three-coordinate nickel(l) carbonyl complex and the geometric preferences of three-coordinate d9 complexes.
Date:
October 5, 2005
Creator:
Eckert, Nathan A.; Dinescu, Adriana; Cundari, Thomas R., 1964- & Holland, Patrick L.
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
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
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
Ruthenium(II)-Mediated Carbon-Carbon Bond Formation between Acetonitrile and Pyrrole: Combined Experimental and Computational Study
This article discusses ruthenium(II)-mediated carbon-carbon bond formation between acetonitrile and pyrrole.
Date:
September 13, 2005
Creator:
Pittard, Karl A.; Cundari, Thomas R., 1964-; Gunnoe, T. Brent; Day, Cynthia S. & Petersen, Jeffrey L.
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
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
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
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
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
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
Rediscovery of the Elements: Joseph Priestley
Article describing the career and discoveries of Joseph Priestley. Tourist information regarding locations important to Priestley's life are visited and discussed.
Date:
Summer 2005
Creator:
Marshall, James L., 1940- & Marshall, Virginia R.
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
A Unified Cosolvency Model for Calculating Solute Solubility in Mixed Solvents
Article discussing a unified cosolvency model for calculating solute solubility in mixed solvents.
Date:
June 1, 2005
Creator:
Jouyban, Abolghasem; Chew, Nora Yat Knork; Chan, Hak-Kim; Sabour, Mohammad & Acree, William E. (William Eugene)
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
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
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
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
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.
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