Ab Initio and Kinetic Modeling Studies of Formic Acid Oxidation (open access)

Ab Initio and Kinetic Modeling Studies of Formic Acid Oxidation

Article on ab initio and kinetic modeling studies of formic acid oxidation.
Date: 2015
Creator: Marshall, Paul & Glarborg, Peter
System: The UNT Digital Library
Selectivity and Mechanism of Hydrogen Atom Transfer by an Isolable Imidoiron (III) Complex (open access)

Selectivity and Mechanism of Hydrogen Atom Transfer by an Isolable Imidoiron (III) Complex

This article discusses a mechanistic study of hydrogen atom transfer by an isolable iron (III) imido complex, LᴹᵉFeNAd (Lᴹᵉ = bulky β-diketiminate ligand, 2,4-bis(2,6-diisopropylphenylimido)pentyl; Ad = 1-adamantyl).
Date: May 12, 2011
Creator: Cowley, Ryan E.; Eckert, Nathan A.; Vaddadi, Sridhar; Figg, Travis M.; Cundari, Thomas R., 1964- & Holland, Patrick L.
System: The UNT Digital Library
Toward a More Rational Design of the Direct Synthesis of Aniline: A Density Functional Theory Study (open access)

Toward a More Rational Design of the Direct Synthesis of Aniline: A Density Functional Theory Study

This article uses plane-wave density functional theory calculations to investigate the direct amination of benzene catalyzed by a Ni(111) surface to explore the reaction intermediates and to understand the role of nickel in this reaction.
Date: March 24, 2017
Creator: Alsunaidi, Zainab H. A.; Cundari, Thomas R., 1964- & Wilson, Angela K.
System: The UNT Digital Library

Phase Transition Enthalpy Measurements of Organic and Organometallic Compounds and Ionic Liquids. Sublimation, Vaporization and Fusion Enthalpies From 1880 to 2015. Part 2. C11-C192.

This article updates the second part of a compendium of phase change enthalpies published in 2010 to include the period 1880-2015.
Date: March 8, 2017
Creator: Acree, William E. (William Eugene) & Chickos, James S.
System: The UNT Digital Library
Phase Transition Enthalpy Measurements of Organic and Organometallic Compounds. Sublimation, Vaporization and Fusion Enthalpies From 1880 to 2010 (open access)

Phase Transition Enthalpy Measurements of Organic and Organometallic Compounds. Sublimation, Vaporization and Fusion Enthalpies From 1880 to 2010

Article on phase transition enthalpy measurements of organic and organometallic compounds, sublimation, and vaporization and fusion enthalpies from 1880 to 2010.
Date: October 4, 2010
Creator: Acree, William E. (William Eugene) & Chickos, James S.
System: The UNT Digital Library

Phase Transition Enthalpy Measurements of Organic and Organometallic Compounds. Sublimation, Vaporization and Fusion Enthalpies From 1880 to 2015. Part 1. C1-C10

This article updates a compendium of phase change enthalpies published in 2010 to include the period 1880-2015.
Date: July 21, 2016
Creator: Acree, William E. (William Eugene) & Chickos, James S.
System: The UNT Digital Library