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  Partner: UNT College of Arts and Sciences
 Department: Center for Advanced Scientific Computing and Modeling
 Collection: UNT Scholarly Works
Rate constant for the reaction C₂H₅ + HBr → C₂H₆ + Br

Rate constant for the reaction C₂H₅ + HBr → C₂H₆ + Br

Date: September 20, 2011
Creator: Golden, David M.; Peng, Jingping; Goumri, Abdellatif; Yuan, Jessie & Marshall, Paul
Description: Article on the rate constant for the reaction C2H5 + HBr → C2H6 + Br.
Contributing Partner: UNT College of Arts and Sciences
Computational Studies of the Thermochemistry of the Atmospheric Iodine Reservoirs HOI and IONO₂

Computational Studies of the Thermochemistry of the Atmospheric Iodine Reservoirs HOI and IONO₂

Date: April 26, 2008
Creator: Marshall, Paul
Description: Book chapter discussing computational studies of the thermochemistry of the atmospheric iodine reservoirs HOI and IONO₂.
Contributing Partner: UNT College of Arts and Sciences
Atmospheric chemistry of isopropyl formate and tert-butyl formate

Atmospheric chemistry of isopropyl formate and tert-butyl formate

Date: August 21, 2009
Creator: Pimentel, Andre Silva; Tyndall, Geoffrey S. (Geoffrey Stuart) 1955-; Orlando, John J.; Hurley, Michale D.; Wallington, Timothy J.; Sulbaek Andersen, Mads Peter et al.
Description: Article on the atmospheric chemistry of isopropyl formate and tert-butyl formate.
Contributing Partner: UNT College of Arts and Sciences
Enthalpy of Formation of the Cyclohexadienyl Radical and the C-H Bond Enthalpy of 1,4-Cyclohexadiene: An Experimental and Computational Re-Evaluation

Enthalpy of Formation of the Cyclohexadienyl Radical and the C-H Bond Enthalpy of 1,4-Cyclohexadiene: An Experimental and Computational Re-Evaluation

Date: June 2, 2009
Creator: Gao, Yide; DeYonker, Nathan J.; Garrett, E. Chauncey; Wilson, Angela K.; Cundari, Thomas R., 1964- & Marshall, Paul
Description: Article on an experimental and computational re-evaluation and the enthalpy of formation of the cyclohexadienyl radical and the C-H bond enthalpy of 1,4-cyclohexadiene.
Contributing Partner: UNT College of Arts and Sciences
Gas Phase Kinetics and Equilibrium of Allyl Radical Reactions with NO and NO₂

Gas Phase Kinetics and Equilibrium of Allyl Radical Reactions with NO and NO₂

Date: August 30, 2012
Creator: Rissanen, Matti P.; Amedro, Damien; Krasnoperov, Lev N.; Marshall, Paul & Timonen, Raimo S.
Description: Article on gas phase kinetics and equilibrium of allyl radical reactions with NO and NO₂.
Contributing Partner: UNT College of Arts and Sciences
Computational Study of the Thermochemistry of N₂O₅ and the Kinetics of the Reaction N₂O₅ + H₂O → 2 HNO₃

Computational Study of the Thermochemistry of N₂O₅ and the Kinetics of the Reaction N₂O₅ + H₂O → 2 HNO₃

Date: September 14, 2014
Creator: Alecu, I. M. & Marshall, Paul
Description: Article on a computational study of the thermochemistry of N₂O₅ and the Kinetics of the Reaction N₂O₅ + H₂O → 2 HNO₃.
Contributing Partner: UNT College of Arts and Sciences
Oxidation of Reduced Sulfur Species: Carbon Disulfide

Oxidation of Reduced Sulfur Species: Carbon Disulfide

Date: August 4, 2014
Creator: Glarborg, Peter; Halaburt, Birgitte; Marshall, Paul; Guillory, Adrian; Troe, Jürgen; Thellefsen, Morten et al.
Description: Article on the oxidation of reduced sulfur species and carbon disulfide.
Contributing Partner: UNT College of Arts and Sciences
Platinum(II)-Catalyzed Ethylene Hydrophenylation: Switching Selectivity between Alkyl- and Vinylbenzene Production

Platinum(II)-Catalyzed Ethylene Hydrophenylation: Switching Selectivity between Alkyl- and Vinylbenzene Production

Date: April 23, 2013
Creator: McKeown, Bradley A.; Gonzalez, Hector Emanuel; Friedfeld, Max R.; Brosnahan, Anna M.; Gunnoe, T. Brent; Cundari, Thomas R., 1964- et al.
Description: Article discussing platinum(II)-catalyzed ethylene hydrophenylation and the influence of dipyridyl chelate ring size on catalyst activity and longevity.
Contributing Partner: UNT College of Arts and Sciences
ASPARTATE 458 of Human Glutathione Synthetase is Important for Cooperativity and Active Site Structure

ASPARTATE 458 of Human Glutathione Synthetase is Important for Cooperativity and Active Site Structure

Date: August 5, 2011
Creator: Brown, Teresa R.; Drummond, Michael L.; Barelier, Sarah; Crutchfield, Amanda S.; Dinescu, Adriana; Slavens, Kerri D. et al.
Description: Article discussing ASPARTATE 458 of human glutathione synthetase.
Contributing Partner: UNT College of Arts and Sciences
Facile and Regioselective C H Bond Activation of Aromatic Substrates by an Fe (II) Complex Involving a Spin-Forbidden Pathway

Facile and Regioselective C H Bond Activation of Aromatic Substrates by an Fe (II) Complex Involving a Spin-Forbidden Pathway

Date: February 27, 2013
Creator: Kalman, Steven E.; Petit, Alban; Gunnoe, T. Brent; Ess, Daniel H.; Cundari, Thomas R., 1964- & Sabat, Michal
Description: Article discussing facile and regioselective C H bond activation of aromatic substrates by an Fe(II) complex involving a spin-forbidden pathway.
Contributing Partner: UNT College of Arts and Sciences
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