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Net Hydrogenation of Pt-NHPh Bond Is Catalyzed by Elemental Pt

Description: This article discusses the net hydrogenation of Pt-NHPh bond catalyzed by elemental Pt.
Date: March 11, 2010
Creator: Webb, Joanna R.; Pierpont, Aaron W.; Munro-Leighton, Colleen; Gunnoe, T. Brent; Cundari, Thomas R., 1964- & Boyle, Paul D.
Item Type: Article
Partner: UNT College of Arts and Sciences

The Reaction Kinetics of Amino Radicals with Sulfur Dioxide

Description: Abstract: Application of the laser photolysis–laser-induced fluorescence method to the reaction NH2 + SO2 in argon bath gas yields pressure-dependent, third-order kinetics which may be summarized as 𝑘 = (1.49 ± 0.15) × 10^−31 (𝑇/298 K) − 0.83 cm^6 molecule^−2 s^−1 over 292 – 555 K, where the uncertainty is the 95% confidence interval and includes possible systematic errors.The quenching of vibrationally excited NH2 is consistent with a high-pressure limit for NH2 + SO2 of (1.62 ± 0.25) × 10^−11 cm^3 molecule^−1 s^−1 over the temperature range 295–505 K, where again the 95% confidence interval is shown. Abinitio analysis yields a H2N – SO2 dissociation enthalpy of 73.5 kJmol−1, and comparison with RRKM theory and the exponential down model for energy transfer yields ⟨Δ𝐸⟩down = 350 cm^−1 for Ar at room temperature.
Date: April 29, 2015
Creator: Gao, Yide; Glarborg, Peter & Marshall, Paul
Item Type: Text
Partner: UNT College of Arts and Sciences

Southwest Retort, Volume 64, Number 7, April 2012

Description: This publication of the Dallas-Fort Worth Section of the American Chemical Society includes information about research, prominent scientist, organizational business, and various other stories of interest to the community.
Date: April 2012
Creator: American Chemical Society. Dallas/Fort Worth Section.
Partner: UNT Libraries

High pressure oxidation of C2H4/NO mixtures

Description: Article on high pressure oxidation of C2H4/NO mixtures.
Date: 2011
Creator: Lopez, Jorge Gimenez; Alzueta, María U.; Rasmussen, Christian Lund; Marshall, Paul & Glarborg, Peter
Item Type: Article
Partner: UNT College of Arts and Sciences

Periodic and Molecular Modeling Study of Donor - Acceptor Interactions in (dbbpy)Pt(tdt) • TENF and [Pt(dbbpy)(tdt)]₂ • TENF

Description: This article discusses a periodic and molecular modeling study. Supramolecular stacked materials (dbbpy)Pt(tdt)•TENF and [Pt(dbbpy)(tdt)]₂•TENF are built from (dbbpy)Pt(tdt) donors (D) with TENF acceptors (A) (TENF = 2,4,5,7-tetranitro-9-fluorenone; dbbpy = 4,4'-di-tert-butyl-2,2'-bipyridine; tdt = 3,4-toluenedithiolate).
Date: January 15, 2010
Creator: Cundari, Thomas R., 1964-; Chilukuri, Bhaskar; Hudson, Joshua M.; Minot, Christian; Omary, Mohammad A. & Rabaâ, Hassan
Item Type: Article
Partner: UNT College of Arts and Sciences

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.
Item Type: Article
Partner: UNT College of Arts and Sciences

Southwest Retort, Volume 65, Number 1, September 2012

Description: This publication of the Dallas-Fort Worth Section of the American Chemical Society includes information about research, prominent scientist, organizational business, and various other stories of interest to the community.
Date: September 2012
Creator: American Chemical Society. Dallas/Fort Worth Section.
Partner: UNT Libraries

Bonding and Structure of Copper Nitrenes

Description: Article discussing research on the bonding and structure of copper nitrenes.
Date: October 4, 2008
Creator: Cundari, Thomas R., 1964- & Dinescu, Adriana
Item Type: Article
Partner: UNT College of Arts and Sciences

Activation of Carbon-Hydrogen and Hydrogen-Hydrogen Bonds by Copper-Nitrenes: A Comparison of Density Functionality Theory with Single- and Multireference Correlation Consistent Composite Approaches

Description: Article on a comparison of density functional theory with single- and multireference correlation consistent composite approaches (ccCA).
Date: October 19, 2009
Creator: Tekarli, Sammer M.; Williams, T. Gavin & Cundari, Thomas R., 1964-
Item Type: Article
Partner: UNT College of Arts and Sciences

Southwest Retort, Volume 61, Number 2, October 2008

Description: This publication of the Dallas-Fort Worth Section of the American Chemical Society includes information about research, prominent scientist, organizational business, and various other stories of interest to the community.
Date: October 2008
Creator: American Chemical Society. Dallas/Fort Worth Section.
Partner: UNT Libraries