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Comparative Reactivity of TpRu(L)(NCMe)Ph (L = CO or PMe3): Impact of Ancillary Ligand L on Activation of Carbon-Hydrogen Bonds Including Catalytic Hydroarylation and Hydrovinylation/Oligomerization of Ethylene

Description: Article discussing research on the comparative reactivity of TpRu(L)(NCMe)Ph (L = CO or PMe3) and the impact of ancillary ligand L on activation of carbon-hydrogen bonds including catalytic hydroarylation and hyrdovinylation/oligomerization of ethylene.
Date: May 9, 2007
Creator: Foley, Nicholas A.; Lail, Marty; Lee, John P.; Gunnoe, T. Brent; Cundari, Thomas R., 1964- & Petersen, Jeffrey L.
Partner: UNT College of Arts and Sciences
open access

Activation of Carbon-Hydrogen Bonds via 1,2-Addition across M-X (X = OH or NH2) Bonds of d6 Transition Metals as a Potential Key Step in Hydrocarbon Functionalization: A Computational Study

Description: Article discussing a computational study on the activation of carbon-hydrogen bonds via 1,2-addition across M-X (X = OH or NH2) bonds of d6 transition metals as a potential key step in hydrocarbon functionalization.
Date: October 6, 2007
Creator: Cundari, Thomas R., 1964-; Grimes, Thomas V. & Gunnoe, T. Brent
Partner: UNT College of Arts and Sciences
open access

Characterization of the sorption of gaseous and organic solutes onto polydimethyl siloxane solid-phase microextraction surfaces using the Abraham model

Description: Article on the characterization of the sorption of gaseous and organic solutes onto polydimethyl siloxane solid-phase microextraction surfaces using the Abraham model.
Date: October 25, 2007
Creator: Sprunger, Laura M.; Proctor, Amy; Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.)
Partner: UNT College of Arts and Sciences
open access

Thermodynamic Properties of Three Pyridine Carboxylic Acid Methyl Ester Isomers

Description: This article discusses the thermodynamic properties of three pyridine carboxylic acid methyl ester isomers.
Date: February 6, 2007
Creator: Silva, Maria D. M. C. Ribeiro da; Freitas, Vera L. S.; Santos, Luís M. N. B. F.; Fulem, Michal; Sottomayor, M. J.; Monte, Manuel J. S. et al.
Partner: UNT College of Arts and Sciences
open access

Mechanisms of Radical Removal by SO2

Description: Article on mechanisms of radical removal by SO2.
Date: January 1, 2007
Creator: Rasmussen, Christian Lund; Glarborg, Peter & Marshall, Paul
Partner: UNT College of Arts and Sciences
open access

Linear Free Energy Relationship Correlation of the Distribution of Solutes between Water and Sodium Dodecyl Sulfate (SDS) Micelles and between Gas and SDS Micelles

Description: This article discusses linear free energy relationship correlation of the distribution of solutes between water and sodium dodecyl sulfate (SDS) micelles and between gas and SDS micelles.
Date: July 27, 2007
Creator: Sprunger, Laura M.; Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.)
Partner: UNT College of Arts and Sciences
open access

Quantitative Computational Thermochemistry of Transition Metal Species

Description: This article discusses quantitative computational thermochemistry of transition metal species. The correlation consistent Composite Approach (ccCA), which has been shown to achieve chemical accuracy (±1 kcal mol⁻¹) for a large benchmark set of main group and s-block metal compounds, is used to compute enthalpies of formation for a set of 17 3d transition metal species.
Date: May 15, 2007
Creator: DeYonker, Nathan J.; Peterson, Kirk A.; Steyl, Gideon; Wilson, Angela K. & Cundari, Thomas R., 1964-
Partner: UNT College of Arts and Sciences
open access

Computational s-Block Thermochemistry with the Correlation Consistent Composite Approach

Description: Article discussing research on computational s-block thermochemistry with the correlation consistent composite approach, which has been shown to accurately compute gas-phase enthalapies of formation for alkali and alkaline earth metal oxides and hydroxides.
Date: October 3, 2007
Creator: DeYonker, Nathan J.; Ho, Dustin S.; Wilson, Angela K. & Cundari, Thomas R., 1964-
Partner: UNT College of Arts and Sciences
open access

Thermochemical studies on 3-methylquinoxaline-2-carboxamide 1,4-dioxide derivatives: enthalpies of formation and of (N-O) bond dissociation

Description: Article discussing thermochemical studies on 3-methyl-quinoxaline-2-carboxamide-1,4-dioxide derivatives and enthalpies of formation and of N-O bond dissociation.
Date: February 3, 2007
Creator: Gomes, José R. B.; Sousa, Emanuel A.; Gomes, Paula; Vale, Nuno; Gonçalves, Jorge M.; Pandey, Siddharth et al.
Partner: UNT College of Arts and Sciences
open access

Rediscovery of the Elements: Jöns Jakob Berzelius

Description: Article describing the life and career of Jöns Jakob Berzelius. Tourist information regarding locations significant to his history is included.
Date: Winter 2007
Creator: Marshall, James L., 1940- & Marshall, Virginia R.
Partner: UNT College of Arts and Sciences
open access

Rediscovery of the Elements: The Road to Karlsruhe

Description: Article describing the history of atomic weight and the events leading up to the Karlsruhe Congress of chemists. The authors visited several sites pertinent to these events and offer tourist information.
Date: Spring 2007
Creator: Marshall, James L., 1940- & Marshall, Virginia R.
Partner: UNT College of Arts and Sciences
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