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  Partner: UNT College of Arts and Sciences
 Collection: UNT Scholarly Works
Computational studies of the potential energy surface for O(¹D) + H₂S: Characterization of pathways involving H₂SO, HOSH, and H₂OS

Computational studies of the potential energy surface for O(¹D) + H₂S: Characterization of pathways involving H₂SO, HOSH, and H₂OS

Date: December 1, 1994
Creator: Goumri, Abdellatif; Rocha, John-David Ray; Laakso, Dianna; Smith, C. E. & Marshall, Paul
Description: Article on computational studies of the potential energy surface for O(¹D) + H₂S and the characterization of pathways involving H₂SO, HOSH, and H₂OS.
Contributing Partner: UNT College of Arts and Sciences
Computational studies of the reactions of CH3I with H and OH

Computational studies of the reactions of CH3I with H and OH

Date: January 1, 1997
Creator: Marshall, Paul; Misra, Ashutosh & Berry, Rajiv
Description: Article on computational studies of the reactions of CH3I with H and OH.
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
A Computational Study of Adducts Between Atomic Chlorine and Carbon Dioxide, Carbonyl Sulfide and Carbon Disulfide

A Computational Study of Adducts Between Atomic Chlorine and Carbon Dioxide, Carbonyl Sulfide and Carbon Disulfide

Date: November 15, 1991
Creator: Marshall, Paul
Description: Article on a computational study of adducts between atomic chlorine and carbon dioxide, carbonyl sulfide and carbon disulfide.
Contributing Partner: UNT College of Arts and Sciences
Computational Study of C-H Bond Strengths in Polyfluoroalkanes

Computational Study of C-H Bond Strengths in Polyfluoroalkanes

Date: April 10, 1997
Creator: Marshall, Paul & Schwartz, Martin
Description: Article on a computational study of C-H bond strengths in polyfluoroalkanes.
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
Computational Study of Polarizabilities and Second Hyperpolarizabilities of Inorganic Transition Metal Thiometalates and Metalates in Solution

Computational Study of Polarizabilities and Second Hyperpolarizabilities of Inorganic Transition Metal Thiometalates and Metalates in Solution

Date: March 8, 2000
Creator: Cundari, Thomas R., 1964-; Kurtz, Henry A. & Zhou, Tie
Description: This article discusses a computational study of polarizabilities and second hyperpolarizabilities of inorganic transition metal thiometalates and metalates in solution.
Contributing Partner: UNT College of Arts and Sciences
A computational study of the enthalpies of formation of halomethylidynes

A computational study of the enthalpies of formation of halomethylidynes

Date: January 22, 1999
Creator: Marshall, Paul; Misra, Ashutosh & Schwartz, Martin
Description: Article on a computational study of the enthalpies of formation of halomethylidynes.
Contributing Partner: UNT College of Arts and Sciences
Computational Study of the Kinetics of Hydrogen Abstraction from Fluoromethanes by the Hydroxyl Radical

Computational Study of the Kinetics of Hydrogen Abstraction from Fluoromethanes by the Hydroxyl Radical

Date: November 13, 1998
Creator: Schwartz, Martin; Marshall, Paul; Berry, Rajiv; Ehlers, C. J. & Petersson, George A.
Description: Article on a computational study of the kinetics of hydrogen abstraction from fluoromethanes by the hydroxyl radical.
Contributing Partner: UNT College of Arts and Sciences
A computational study of the reaction kinetics of methyl radicals with trifluorohalomethanes

A computational study of the reaction kinetics of methyl radicals with trifluorohalomethanes

Date: 1998
Creator: Berry, Rajiv & Marshall, Paul
Description: This article discusses a computational study of the reaction kinetics of methyl radicals with trifluorohalomethanes.
Contributing Partner: UNT College of Arts and Sciences