UNT Scholarly Works - 34 Matching Results

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Primary view of The Butterfly Dimer [(tBu3SiO)Cr]2 (μ-OSitBu3)2 and Its Oxidative Cleavage to (tBu3SiO)2 Cr(=N-N=CPh2)2 and (tBu3SiO)2 Cr=N(2,6-Ph2-C6H3)
Sydora, Orson L.; Kuiper, David S.; Wolczanski, Peter T.; Lobkovsky, Emil B.; Dinescu, Adriana & Cundari, Thomas R., 1964-
January 12, 2006
Primary view of The correlation consistent composite approach (ccCA): An alternative to the Gaussian-n methods
DeYonker, Nathan J.; Cundari, Thomas R., 1964- & Wilson, Angela K.
March 17, 2006
Primary view of The correlation-consistent composite approach: Application to the G3/99 test set
DeYonker, Nathan J.; Grimes, Thomas V.; Yockel, Scott; Dinescu, Adriana; Mintz, Benjamin; Cundari, Thomas R., 1964- et al.
September 13, 2006
Primary view of Oxygen Atom Transfer Energetics: Assessment of the Effect of Method and Solvent
Dinescu, Adriana; Whiteley, Clinton; Combs, Rachel R. & Cundari, Thomas R., 1964-
February 23, 2006
Primary view of 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
Feng, Yuee; Lail, Marty; Foley, Nicholas A.; Gunnoe, T. Brent; Barakat, Khaldoon A.; Cundari, Thomas R., 1964- et al.
May 24, 2006
Primary view of Chemistry Surrounding Monomeric Copper(l) Methyl, Phenyl, Anilido, Ethoxide, and Phenoxide Complexes Supported by N-Heterocyclic Carbene Ligands: Reactivity Consistent with Both Early and Late Transition Metal Systems
Goj, Laurel A.; Blue, Elizabeth D.; Delp, Samuel A.; Gunnoe, T. Brent; Cundari, Thomas R., 1964-; Pierpont, Aaron W. et al.
September 27, 2006
Primary view of Accurate Enthalpies of Formation of Alkali and Alkaline Earth Metal Oxides and Hydroxides: Assessment of the Correlation Consistent Composite Approach (ccCA)
Ho, Dustin S.; DeYonker, Nathan J.; Cundari, Thomas R., 1964- & Wilson, Angela K.
July 12, 2006
Primary view of Intertrimer and Intratrimer Metallophilic and Excimeric Bonding in the Ground and Phosphorescent States of Trinuclear Coinage Metal Pyrazolates: A Computational Study
Grimes, Thomas V.; Omary, Mohammad A.; Dias, H. V. Rasika & Cundari, Thomas R., 1964-
April 8, 2006
Primary view of Disproportionation of Gold(II) Complexes. A Density Functional Study of Ligand and Solvent Effects
Barakat, Khaldoon A.; Cundari, Thomas R., 1964-; Rabaâ, Hassan & Omary, Mohammad A.
July 13, 2006
Primary view of Reactions of a Ru(II) Phenyl Complex with Substrates that Possess C-N or C-O Multiple Bonds: C-C Bond Formation, N-H Bond Cleavage, and Decarbonylation Reactions
Lee, John P.; Pittard, Karl A.; DeYonker, Nathan J.; Cundari, Thomas R., 1964-; Gunnoe, T. Brent & Petersen, Jeffrey L.
February 8, 2006
Primary view of Octahedral [TpRu(PMe3)2OR]n+ Complexes (Tp = hydridotris(pyrazolyl)borate; R = H or Ph; n = 0 or 1): Reactions at Ru(II) and Ru(III) Oxidation States with Substrates that Possess Carbon-Hydrogen Bonds
Feng, Yuee; Gunnoe, T. Brent; Grimes, Thomas V. & Cundari, Thomas R., 1964-
September 15, 2006
Primary view of Single-Electron Oxidation of Monomeric Copper(I) Alkyl Complexes: Evidence for Reductive Elimination through Biomolecular Formation of Alkanes
Goj, Laurel A.; Blue, Elizabeth D.; Delp, Samuel A.; Gunnoe, T. Brent; Cundari, Thomas R., 1964- & Petersen, Jeffrey L.
July 21, 2006
Primary view of Effects of covalency on the p-shell photoemission of transition metals: MnO
Bagus, Paul S. & Ilton, Eugene S.
April 13, 2006
Primary view of Synthesis and Characterization of Nickel and Nickel Hydroxide Nanopowders
Huang, Catherine & Golden, Teresa
March 30, 2006
Primary view of Rediscovery of the Elements: Aluminum
Marshall, James L., 1940- & Marshall, Virginia R.
Summer 2006
Primary view of Rediscovery of the Elements: Fluorine
Marshall, James L., 1940- & Marshall, Virginia R.
Autumn 2006
Primary view of Phase Change Enthalpies and Entropies of Liquid Crystals
Acree, William E. (William Eugene) & Chickos, James S.
July 17, 2006
Primary view of Predicting Solubility of Anthracene in Non-aqueous Solvent Mixtures Using a Combination of Jouyban-Acree and Abraham Models
Jouyban, Abolghasem; Khoubnasabjafari, Maryam & Acree, William E. (William Eugene)
August 1, 2006
Primary view of Modeling the Solvatochromic Parameter [E[NT]] of Mixed Solvents with Respect to Solvent Composition and Temperature using the Jouyban-Acree Model
Jouyban, Abolghasem; Khoubnasabjafari, Maryam & Acree, William E. (William Eugene)
2006
Primary view of Solubility prediction of salicylic acid in water-ethanol-propylene glycol mixtures using the Jouyban-Acree model
Jouyban, Abolghasem; Chew, Nora Yat Knork; Chan, H.; Khoubnasabjafari, M. & Acree, William E. (William Eugene)
2006
Primary view of Solubility Prediction of Paracetamol in Binary and Ternary Solvent Mixtures Using Jouyban-Acree Model
Jouyban, Abolghasem; Chan, Hak-Kim; Chew, Nora Yat Knork; Khoubnasabjafari, Maryam & Acree, William E. (William Eugene)
April 2006
Primary view of Comments on "Solvation Parameters. 2. A Simplified Molecular Topology to Generate Easily Optimized Values"
Mintz, Christina; Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.)
September 8, 2006
Primary view of Solubility of Anthracene in Binary Diisopropyl Ether + Alkane Solvent Mixtures at 298.15 K
Carrillo, Miranda; Corella, Monica; Wolcott, Kimberle; Bowen, Kaci R. & Acree, William E. (William Eugene)
November 16, 2006
Primary view of Novel Metal Hydroxide Derivatives Containing Chemically Bound Organophosphorus or Polyphosphate Species as Flame Retardants
Braterman, Paul S.; D'Souza, Nandika & Dharia, Amit
March 29, 2006