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  Partner: UNT College of Arts and Sciences
A computational study of the thermochemistry of bromine- and iodine-containing methanes and methyl radicals

A computational study of the thermochemistry of bromine- and iodine-containing methanes and methyl radicals

Date: June 28, 2005
Creator: Marshall, Paul; Srinivas, G. N. & Schwartz, Martin
Description: Article on a computational study of the thermochemistry of bromine- and iodine-containing methanes and methyl radicals.
Contributing Partner: UNT College of Arts and Sciences
Reaction kinetics of the addition of atomic sulfur to nitric oxide

Reaction kinetics of the addition of atomic sulfur to nitric oxide

Date: June 9, 2004
Creator: Goumri, Abdellatif; Shao, Diane D. & Marshall, Paul
Description: Article on reaction kinetics of the addition of atomic sulfur to nitric oxide.
Contributing Partner: UNT College of Arts and Sciences
Kinetic studies of the Cl + HI reaction using three techniques

Kinetic studies of the Cl + HI reaction using three techniques

Date: July 27, 2004
Creator: Yuan, Jessie; Misra, Ashutosh; Goumri, Abdellatif; Shao, Diane D. & Marshall, Paul
Description: Article on kinetic studies of the Cl + HI reaction using three techniques.
Contributing Partner: UNT College of Arts and Sciences
Rate coefficients and product branching measurements for the reaction OH + bromopropane from 230 to 360 K

Rate coefficients and product branching measurements for the reaction OH + bromopropane from 230 to 360 K

Date: May 8, 2002
Creator: Gilles, Mary K.; Burkholder, James B. (James Bart), 1954-; Gierczak, Tomasz; Marshall, Paul & Ravishankara, A. R.
Description: Article on rate coefficient and product branching measurements for the reaction OH + bromopropane from 230 to 360 K.
Contributing Partner: UNT College of Arts and Sciences
The reaction of OH with acetaldehyde and deuterated acetaldehyde: Further insight into the reaction mechanism at both low and elevated temperatures

The reaction of OH with acetaldehyde and deuterated acetaldehyde: Further insight into the reaction mechanism at both low and elevated temperatures

Date: June 8, 2006
Creator: Taylor, Philip H.; Yamada, Takahiro & Marshall, Paul
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.
Contributing Partner: UNT College of Arts and Sciences
The relaxation of OH (v = 1) and OD (v = 1) by H2O and D2O at temperatures from 251 to 390 K

The relaxation of OH (v = 1) and OD (v = 1) by H2O and D2O at temperatures from 251 to 390 K

Date: June 30, 2006
Creator: McCabe, D. C.; Rajakumar, B.; Marshall, Paul; Smith, Ian W. M. & Ravishankara, A. R.
Description: Article on the relaxation of OH (v = 1) and OD (v = 1) by H₂O and D₂O at temperatures from 251 to 390 K.
Contributing Partner: UNT College of Arts and Sciences
A computational study of chlorofluoro-methyl radicals

A computational study of chlorofluoro-methyl radicals

Date: January 8, 2003
Creator: Schwartz, Martin; Peebles, Lynda R.; Berry, Rajiv & Marshall, Paul
Description: Article on a computational study of chlorofluoro-methyl radicals.
Contributing Partner: UNT College of Arts and Sciences
Rate coefficients and mechanistic analysis for the reaction of hydroxyl radicals with 1,1-dichloroethylene and trans-1,2-dichloroethylene over an extended temperature range

Rate coefficients and mechanistic analysis for the reaction of hydroxyl radicals with 1,1-dichloroethylene and trans-1,2-dichloroethylene over an extended temperature range

Date: July 17, 2001
Creator: Yamada, Takahiro; El-Sinawi, Abdulaziz; Siraj, Mohammad Masud, 1972-; Taylor, Philip H.; Peng, Jingping; Hu, Xiaohua et al.
Description: Article on rate coefficients and mechanistic analysis for the reaction of hydroxyl radicals with 1,1-dichloroethylene and trans-1,2-dichloroethylene over an extended temperature range.
Contributing Partner: UNT College of Arts and Sciences
Thermochemistry is not a lower bound to the activation energy of endothermic reactions: A kinetic study of the gas-phase reaction of atomic chlorine with ammonia

Thermochemistry is not a lower bound to the activation energy of endothermic reactions: A kinetic study of the gas-phase reaction of atomic chlorine with ammonia

Date: March 9, 2006
Creator: Gao, Yide; Alecu, I. M.; Hsieh, P-C; Morgan, Brad P.; Marshall, Paul & Krasnoperov, Lev N.
Description: Article on a kinetic study of the gas-phase reaction of atomic chlorine with ammonia.
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
Experimental Measurements and Kinetic Modeling of CO/H₂/O₂/NOₓ Conversion at High Pressure

Experimental Measurements and Kinetic Modeling of CO/H₂/O₂/NOₓ Conversion at High Pressure

Date: July 11, 2008
Creator: Rasmussen, Christian Lund; Hansen, Jørn; Marshall, Paul & Glarborg, Peter
Description: Article on experimental measurements and kinetic modeling of CO/H₂/O₂/NOₓ conversion at high pressure.
Contributing Partner: UNT College of Arts and Sciences
An investigation of the reaction of CH₃S with CO

An investigation of the reaction of CH₃S with CO

Date: May 21, 2004
Creator: Koch, L. C.; Marshall, Paul & Ravishankara, A. R.
Description: Article on an investigation of the reaction of CH₃S with CO.
Contributing Partner: UNT College of Arts and Sciences
The kinetics of the reaction of H atoms with C₄F₆

The kinetics of the reaction of H atoms with C₄F₆

Date: November 16, 2001
Creator: Hu, Xiaohua; Goumri, Abdellatif & Marshall, Paul
Description: Article on the kinetics of the reaction of H atoms with C₄F₆.
Contributing Partner: UNT College of Arts and Sciences
Modified transition state theory and negative apparent activation energies of simple metathesis reactions: Application to the reaction CH₃ + HBr + CH₄ + Br

Modified transition state theory and negative apparent activation energies of simple metathesis reactions: Application to the reaction CH₃ + HBr + CH₄ + Br

Date: December 18, 2006
Creator: Krasnoperov, Lev N.; Peng, Jingping & Marshall, Paul
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.
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
Kinetic and modeling studies of the reaction of hydroxyl radicals with tetrachloroethylene

Kinetic and modeling studies of the reaction of hydroxyl radicals with tetrachloroethylene

Date: January 29, 2000
Creator: Tichenor, LeAnn B.; Graham, John L.; Yamada, Takahiro; Taylor, Philip H.; Peng, Jingping; Hu, Xiaohua et al.
Description: Article on kinetic and modeling studies of the reaction of hydroxyl radicals with tetrachloroethylene.
Contributing Partner: UNT College of Arts and Sciences
Studies of the kinetics and thermochemistry of the forward and reverse reaction Cl + C₆H₆ = HCl + C₆H₅

Studies of the kinetics and thermochemistry of the forward and reverse reaction Cl + C₆H₆ = HCl + C₆H₅

Date: February 7, 2007
Creator: Alecu, I. M.; Gao, Yide; Hsieh, P-C; Sand, Jordan P.; Ors, Ahmet; McLeod, A. et al.
Description: Article on studies of the kinetics and thermochemistry of the forward and reverse reaction Cl + C₆H₆ = HCl + C₆H₅.
Contributing Partner: UNT College of Arts and Sciences
High-Accuracy Coupled-Cluster Computations of Bond Dissociation Energies in SH, H₂S, and H₂O

High-Accuracy Coupled-Cluster Computations of Bond Dissociation Energies in SH, H₂S, and H₂O

Date: February 5, 2002
Creator: Peebles, Lynda R. & Marshall, Paul
Description: Article on high-accuracy coupled-cluster computations of bond dissociation energies in SH, H2S, and H2O.
Contributing Partner: UNT College of Arts and Sciences
Multi-site genetic modification of monolignol biosynthesis in alfalfa (Medicago sativa): effects on lignin composition in specific cell types

Multi-site genetic modification of monolignol biosynthesis in alfalfa (Medicago sativa): effects on lignin composition in specific cell types

Date: March 2, 2008
Creator: Nakashima, Jin; Chen, Fang; Jackson, Lisa A.; Shadle, Gail L. & Dixon, R. A.
Description: Article on multi-site genetic modification of monolignol biosynthesis in alfalfa (Medicago sativa) and the effects on lignin composition in specific cell types.
Contributing Partner: UNT College of Arts and Sciences
Rate Constants and Hydrogen Isotope Substitution Effects in the CH₃ + HCl and CH₃ + Cl₂

Rate Constants and Hydrogen Isotope Substitution Effects in the CH₃ + HCl and CH₃ + Cl₂

Date: March 6, 2008
Creator: Eskola, Arkke J.; Timonen, Raimo S.; Marshall, Paul; Chesnokov, Evgeni N. & Krasnoperov, Lev N.
Description: Article on rate constants and hydrogen isotope substitution effects in the CH₃ + HCl and CH₃ + Cl₂ reactions.
Contributing Partner: UNT College of Arts and Sciences
Terpene Biosynthesis in Glandular Trichomes of Hop

Terpene Biosynthesis in Glandular Trichomes of Hop

Date: November 2008
Creator: Wang, Guodong; Tian, Li; Aziz, Naveed; Broun, Pierre; Dai, Xinbin; He, Ji et al.
Description: Article on terpene biosynthesis in glandular trichomes of hop.
Contributing Partner: UNT College of Arts and Sciences
Biosynthesis and genetic engineering of proanthocyanidins and (iso)flavonoids

Biosynthesis and genetic engineering of proanthocyanidins and (iso)flavonoids

Date: October 2008
Creator: Tian, Li; Pang, Yongzhen & Dixon, R. A.
Description: Article on biosynthesis and genetic engineering of proanthocyanidins and (iso)flavonoids.
Contributing Partner: UNT College of Arts and Sciences
The reaction of OH with acetone and acetone-d₆ from 298 to 832 K: Rate coefficients and mechanism

The reaction of OH with acetone and acetone-d₆ from 298 to 832 K: Rate coefficients and mechanism

Date: November 22, 2003
Creator: Yamada, Takahiro; Taylor, Philip H.; Goumri, Abdellatif & Marshall, Paul
Description: Article on the reaction of OH with acetone and acetone-d₆ from 298 to 832 K and rate coefficients and mechanism.
Contributing Partner: UNT College of Arts and Sciences
Reactions of SO₃ with the O/H Radical Pool under Combustion Conditions

Reactions of SO₃ with the O/H Radical Pool under Combustion Conditions

Date: March 9, 2007
Creator: Hindiyarti, Lusi; Glarborg, Peter & Marshall, Paul
Description: Article on reactions of SO₃ with the O/H radical pool under combustion conditions.
Contributing Partner: UNT College of Arts and Sciences