UNT Scholarly Works - 34 Matching Results

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Accurate Enthalpies of Formation of Alkali and Alkaline Earth Metal Oxides and Hydroxides: Assessment of the Correlation Consistent Composite Approach (ccCA)

Description: Article on accurate enthalpies of formation of alkali and alkaline earth metal oxides and hydroxides and an assessment of the correlation consistent composite approach (ccCA).
Date: July 12, 2006
Creator: Ho, Dustin S.; DeYonker, Nathan J.; Cundari, Thomas R., 1964- & Wilson, Angela K.
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Partner: UNT College of Arts and Sciences
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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)

Description: Article discussing research on the butterfly dimer [(ᵗBu₃SiO)Cr]₂(μ-OSiᵗBu₃)₂ and its oxidative cleavage to (ᵗBu₃SiO)₂Cr(=N-N=CPh₂)₂ and (ᵗBu₃SiO)₂Cr=N(2,6-Ph₂-C₆H₃).
Date: January 12, 2006
Creator: Sydora, Orson L.; Kuiper, David S.; Wolczanski, Peter T.; Lobkovsky, Emil B.; Dinescu, Adriana & Cundari, Thomas R., 1964-
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Partner: UNT College of Arts and Sciences
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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

Description: Article on chemistry surrounding monomeric copper(I) methyl, phenyl, anilido, ethoxide, and phenoxide complexes supported by N-heterocyclic carbene ligands.
Date: September 27, 2006
Creator: Goj, Laurel A.; Blue, Elizabeth D.; Delp, Samuel A.; Gunnoe, T. Brent; Cundari, Thomas R., 1964-; Pierpont, Aaron W. et al.
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Partner: UNT College of Arts and Sciences
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Comments on "Solvation Parameters. 2. A Simplified Molecular Topology to Generate Easily Optimized Values"

Description: This article provides comments on "Solvation Parameters. 2. A Simplified Molecular Topology to Generate Easily Optimized Values," published in the Journal of Chemical Information and Modeling.
Date: September 8, 2006
Creator: Mintz, Christina; Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.)
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Partner: UNT College of Arts and Sciences
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Effects of covalency on the p-shell photoemission of transition metals: MnO

Description: This article discusses the effects of covalency on the p-shell photoemission of transition metals. The treatment of covalency has not been included previously in ab initio theoretical studies of the 2p-shell XPS of transition-metal complexes. In this work, covalent interactions between the metal and ligands are treated on an equal footing with spin-orbit splittings.
Date: April 13, 2006
Creator: Bagus, Paul S. & Ilton, Eugene S.
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Partner: UNT College of Arts and Sciences
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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

Description: This article discusses evidence for metal-mediated processes.
Date: May 24, 2006
Creator: Feng, Yuee; Lail, Marty; Foley, Nicholas A.; Gunnoe, T. Brent; Barakat, Khaldoon A.; Cundari, Thomas R., 1964- et al.
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Partner: UNT College of Arts and Sciences
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Mathematical representation of solubility of amino acids in binary aqueous-organic solvent mixtures at various temperatures using the Jouyban-Acree model

Description: Article on mathematical representation of solubility of amino acids in binary aqueous-organic solvent mixtures at various temperatures using the Jouyban-Acree model.
Date: September 1, 2006
Creator: Jouyban, Abolghasem; Khoubnasabjafari, Maryam; Chan, Hak-Kim & Acree, William E. (William Eugene)
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Partner: UNT College of Arts and Sciences
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Modeling the Solvatochromic Parameter [E[NT]] of Mixed Solvents with Respect to Solvent Composition and Temperature using the Jouyban-Acree Model

Description: Article on modeling the solvatochromic parameter [E[NT]] of mixed solvents with respect to solvent composition and temperature using the Jouyban-Acree model.
Date: January 22, 2006
Creator: Jouyban, Abolghasem; Khoubnasabjafari, Maryam & Acree, William E. (William Eugene)
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Partner: UNT College of Arts and Sciences
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Modified transition state theory and negative apparent activation energies of simple metathesis reactions: Application to the reaction CH₃ + HBr + CH₄ + Br

Description: Article on modified transition state theory and negative apparent activation energies of simple metathesis reactions and application to the reaction CH₃ + HBr + CH₄ + Br.
Date: December 18, 2006
Creator: Krasnoperov, Lev N.; Peng, Jingping & Marshall, Paul
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Partner: UNT College of Arts and Sciences
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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

Description: This article discusses octahedral [TpRu(PMe3)2OR]n+ Complexes (Tp = hydridotris(pyrazolyl)borate.
Date: September 15, 2006
Creator: Feng, Yuee; Gunnoe, T. Brent; Grimes, Thomas V. & Cundari, Thomas R., 1964-
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Partner: UNT College of Arts and Sciences
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The reaction of OH with acetaldehyde and deuterated acetaldehyde: Further insight into the reaction mechanism at both low and elevated temperatures

Description: Article on the reaction of OH with acetaldehyde and deuterated acetaldehyde and further insight into the reaction mechanism at both low and elevated temperatures.
Date: June 8, 2006
Creator: Taylor, Philip H.; Yamada, Takahiro & Marshall, Paul
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Partner: UNT College of Arts and Sciences
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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

Description: Article on the reactions of an Ru(II) phenyl complex with substrates that possess C-N or C-O multiple bonds and C-C bond formation, N-H bond cleavage, and decarbonylation reactions.
Date: February 8, 2006
Creator: Lee, John P.; Pittard, Karl A.; DeYonker, Nathan J.; Cundari, Thomas R., 1964-; Gunnoe, T. Brent & Petersen, Jeffrey L.
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Partner: UNT College of Arts and Sciences
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