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  Partner: UNT College of Arts and Sciences
 Department: Chemistry
 Decade: 2000-2009
 Collection: UNT Scholarly Works
Effects of covalency on the p-shell photoemission of transition metals: MnO

Effects of covalency on the p-shell photoemission of transition metals: MnO

Date: April 13, 2006
Creator: Bagus, Paul S. & Ilton, Eugene S.
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.
Contributing Partner: UNT College of Arts and Sciences
Evidence for Strong Tantalum-to-Boron Dative Interactions in (silox)3Ta(BH3) and (silox)3Ta(ɳ2-B,CI-BCI2Ph) (silox = tBu3SiO)1

Evidence for Strong Tantalum-to-Boron Dative Interactions in (silox)3Ta(BH3) and (silox)3Ta(ɳ2-B,CI-BCI2Ph) (silox = tBu3SiO)1

Date: January 24, 2007
Creator: Bonanno, Jeffrey B.; Henry, Thomas P.; Wolczanski, Peter T.; Pierpont, Aaron W. & Cundari, Thomas R., 1964-
Description: This article discusses strong tantalum-to-boron dative interactions in (silox)3Ta(BH3) and (silox)3Ta(ɳ2-B,CI-BCI2Ph) (silox = tBu3SiO)1.
Contributing Partner: UNT College of Arts and Sciences
Disproportionation of Gold(II) Complexes. A Density Functional Study of Ligand and Solvent Effects

Disproportionation of Gold(II) Complexes. A Density Functional Study of Ligand and Solvent Effects

Date: July 13, 2006
Creator: Barakat, Khaldoon A.; Cundari, Thomas R., 1964-; Rabaâ, Hassan & Omary, Mohammad A.
Description: This article discusses disproportionation of gold(II) as an atomic ion as well as with chloride and neutral ligands.
Contributing Partner: UNT College of Arts and Sciences
Inter- and Intramolecular Experimental and Calculated Equilibrium Isotope Effects for (silox)₂(ᵗBu₃SiND)TiR + RH (silox = ᵗBu₃SiO): Inferred Kinetic Isotope Effects for RH/D Addition to Transient (silox)₂Ti=NSiᵗBu₃

Inter- and Intramolecular Experimental and Calculated Equilibrium Isotope Effects for (silox)₂(ᵗBu₃SiND)TiR + RH (silox = ᵗBu₃SiO): Inferred Kinetic Isotope Effects for RH/D Addition to Transient (silox)₂Ti=NSiᵗBu₃

Date: August 23, 2000
Creator: Slaughter, LeGrande M.; Wolczanski, Peter T.; Klinckman, Thomas R. & Cundari, Thomas R., 1964-
Description: This article discusses inter- and intramolecular experimental and calculated equilibrium isotope effects.
Contributing Partner: UNT College of Arts and Sciences
Olefin Substitution in (silox)3M(olefin) (silox = tBu3SiO; M = Nb, Ta): The Role of Density of States in Second vs Third Row Transition Metal Reactivity

Olefin Substitution in (silox)3M(olefin) (silox = tBu3SiO; M = Nb, Ta): The Role of Density of States in Second vs Third Row Transition Metal Reactivity

Date: January 8, 2008
Creator: Hirsekorn, Kurt F.; Hulley, Elliott B.; Wolczanski, Peter T. & Cundari, Thomas R., 1964-
Description: This article discusses the role of density of states in second vs third row transition metal reactivity.
Contributing Partner: UNT College of Arts and Sciences
Low Coordinate, Monomeric Molybdenum and Tungsten(III) Complexes: Structure, Reactivity and Calculational Studies of (silox)3Mo and (silox)3ML (M = Mo, W; L = PMe3, CO; silox = tBu3SiO)

Low Coordinate, Monomeric Molybdenum and Tungsten(III) Complexes: Structure, Reactivity and Calculational Studies of (silox)3Mo and (silox)3ML (M = Mo, W; L = PMe3, CO; silox = tBu3SiO)

Date: September 6, 2008
Creator: Kuiper, David S.; Wolczanski, Peter T.; Lobkovsky, Emil B. & Cundari, Thomas R., 1964-
Description: This article discusses low coordinate, monomeric molybdenum and tungsten(III) complexes.
Contributing Partner: UNT College of Arts and Sciences
Studies of Low-Coordinate Iron Dinitrogen Complexes

Studies of Low-Coordinate Iron Dinitrogen Complexes

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.
Description: 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.
Contributing Partner: UNT College of Arts and Sciences
A Dream of Toasted Cheese, the Bunsen Burner, and Beatrix Potter

A Dream of Toasted Cheese, the Bunsen Burner, and Beatrix Potter

Date: Autumn 2008
Creator: Marshall, James L., 1940- & Marshall, Virginia R.
Description: Front cover of The Hexagon, featuring a painting by Beatrix Potter. In the painting, a mouse wearing glasses sits on the intake tube of a lit Bunsen burner and reads a red book. Behind this is a group of unpainted mice using chemistry equipment. "A Dream of Toasted cheese" is written to the left of the burner's flame, and a note concerning NH3 is written to the bottom left. Above these images is the title of the magazine. Above that are pictures concerning other articles. The inside cover features a table of contents, work credits, and an introductory editorial.
Contributing Partner: UNT College of Arts and Sciences
Rediscovery of the Elements: Althofen, Austria and Auer von Welsbach

Rediscovery of the Elements: Althofen, Austria and Auer von Welsbach

Date: Spring 2002
Creator: Marshall, James L., 1940- & Marshall, Virginia R.
Description: Article recounting a visit to sites related to Baron Carl Auer von Welsbach, discoverer of lutetium and ytterbium and inventor of the incandescent "Welsbach mantle." Maps and tourist information are provided regarding the Welsbach Museum in Treibach, Austria.
Contributing Partner: UNT College of Arts and Sciences
Rediscovery of the Elements: Strontium

Rediscovery of the Elements: Strontium

Date: Autumn 2002
Creator: Marshall, James L., 1940- & Marshall, Virginia R.
Description: Article describing the history of the element strontium from its discovery in Strontian, Scotland, to its early uses in English medicine. Maps with directions and photographs of pertinent locations are included.
Contributing Partner: UNT College of Arts and Sciences
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