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1,036 Matching Results
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Gas-Phase Reactions between Hydrocarbons and Metal Oxides: The AIO + CH₄ Reaction from 590 to 1380 K
Article on gas-phase reactions between hydrocarbons and metal oxides and the aluminum monoxide + methane reaction from 590 to 1380 K.
Date:
April 1993
Creator:
Belyung, David P.; Fontijn, A. (Arthur) & Marshall, Paul
Object Type:
Article
System:
The UNT Digital Library
Investigation of the Gas-Phase Kinetics of the Reaction K + SO₂ + Ar
Article on an investigation of the gas-phase kinetics of the reaction K + SO₂ + Ar.
Date:
May 1993
Creator:
Goumri, Abdellatif; Laakso, Dianna; Rocha, John-David Ray; Francis, Elizabeth & Marshall, Paul
Object Type:
Article
System:
The UNT Digital Library
Investigations of the reaction of trimethylsilane with O(³P) atoms
Article discussing investigations of the reaction of trimethylsilane with O(³P) atoms.
Date:
April 1994
Creator:
Misra, Ashutosh; Ding, Luying; Marshall, Paul; Buchta, Christian; Stucken, D. V.; Vollmer, J. T. et al.
Object Type:
Article
System:
The UNT Digital Library
Spectrochemical Investigations of Preferential Solvation. Fluorescence Emission Behavior of Select Polycyclic Aromatic Hydrocarbon Solute Probes Dissolved in Mixed Solvents
Article discussing spectrochemical investigations of preferential solvation and fluorescence emission behavior of select polycyclic aromatic hydrocarbon solute probes dissolved in mixed solvents.
Date:
October 1993
Creator:
Acree, William E. (William Eugene); Tucker, Sheryl A. (Sheryl Ann) & Wilkins, Denise C.
Object Type:
Article
System:
The UNT Digital Library
Computational Study of Polarizabilities and Second Hyperpolarizabilities of Inorganic Transition Metal Thiometalates and Metalates in Solution
This article discusses a 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
Object Type:
Article
System:
The UNT Digital Library
An ab Initio Investigation of Halocarbenes
Article on an ab initio investigation of halocarbenes.
Date:
September 10, 1999
Creator:
Schwartz, Martin & Marshall, Paul
Object Type:
Article
System:
The UNT Digital Library
The kinetics of the reaction of H atoms with C₄F₆
Article on the kinetics of the reaction of H atoms with C₄F₆.
Date:
November 16, 2001
Creator:
Hu, Xiaohua; Goumri, Abdellatif & Marshall, Paul
Object Type:
Article
System:
The UNT Digital Library
The Gas-Phase Kinetics of Reactions of Alkali Metal Atoms with Nitric Oxide
Article on the gas-phase kinetics of reactions of alkali metal atoms with nitric oxide.
Date:
November 4, 1999
Creator:
Goumri, Abdellatif; Rocha, John-David Ray; Misra, Ashutosh & Marshall, Paul
Object Type:
Article
System:
The UNT Digital Library
Kinetic and modeling studies of the reaction of hydroxyl radicals with tetrachloroethylene
Article on 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.
Object Type:
Article
System:
The UNT Digital Library
Computational Study of the Thermochemistry of N₂O₅ and the Kinetics of the Reaction N₂O₅ + H₂O → 2 HNO₃
Article on a computational study of the thermochemistry of N₂O₅ and the Kinetics of the Reaction N₂O₅ + H₂O → 2 HNO₃.
Date:
November 7, 2014
Creator:
Alecu, I. M. & Marshall, Paul
Object Type:
Article
System:
The UNT Digital Library
What Can We Learn about Dispersion from the Conformer Surface of n-Pentane?
This article maps the torsional surface of n-pentane to 10-degree resolution at the CCSD(T)-F12 level near the basis set limit.
Date:
February 8, 2013
Creator:
Martin, Jan M. L.
Object Type:
Article
System:
The UNT Digital Library
Toward Accurate Theoretical Thermochemistry of First Row Transition Metal Complexes
This article uses the recently developed correlation consistent Composite Approach for transition metals to compute the thermochemical properties for a collection of 225 inorganic molecules containing first row (3d) transition metals.
Date:
June 17, 2011
Creator:
Jiang, Wanyi; DeYonker, Nathan J. & Wilson, Angela K.
Object Type:
Article
System:
The UNT Digital Library
Gas Phase Kinetics and Equilibrium of Allyl Radical Reactions with NO and NO₂
Article on gas phase kinetics and equilibrium of allyl radical reactions with NO and NO₂.
Date:
January 11, 2013
Creator:
Rissanen, Matti P.; Amedro, Damien; Krasnoperov, Lev N.; Marshall, Paul & Timonen, Raimo S.
Object Type:
Article
System:
The UNT Digital Library
The Melatonin Conformer Space: Benchmark and Assessment of Wave Function and DFT Methods for a Paradigmatic Biological and Pharmacological Molecule
This article describes reference quality conformational energies for the 52 unique conformers of melatonin by means of explicitly correlated ab initio methods as well as the ccCA composite method.
Date:
December 21, 2012
Creator:
Fogueri, Uma R.; Kozuch, Sebastian; Karton, Amir & Martin, Jan M. L.
Object Type:
Article
System:
The UNT Digital Library
Rate Constant and Branching Fraction for the NH₂ + NO₂ Reaction
Article on rate constant and branching fraction for the NH₂ + NO₂ reaction.
Date:
August 22, 2013
Creator:
Klippenstein, Stephen J.; Harding, Lawrence B.; Glarborg, Peter; Gao, Yide; Hu, Huanzhen & Marshall, Paul
Object Type:
Article
System:
The UNT Digital Library
A Neoteric Neodymium Model: Ground and Excited Electronic State Analysis of NdF²⁺
This article studies neodymium monofluoride dictation as a model of the Nd-F bond in NDFₓ.
Date:
May 10, 2013
Creator:
Schoendorff, George; South, Christopher & Wilson, Angela K.
Object Type:
Article
System:
The UNT Digital Library
Oxidation of Reduced Sulfur Species: Carbon Disulfide
Article on the oxidation of reduced sulfur species and carbon disulfide.
Date:
August 4, 2014
Creator:
Glarborg, Peter; Halaburt, Birgitte; Marshall, Paul; Guillory, Adrian; Troe, Jürgen; Thellefsen, Morten et al.
Object Type:
Article
System:
The UNT Digital Library
Thermochemical Investigations of Nearly Ideal Binary Solvents. 3. Solubility in Systems of Nonspecific Interactions
Article on thermochemical investigations of nearly ideal binary solvents and the solubility in systems of nonspecific interactions.
Date:
June 1977
Creator:
Acree, William E. (William Eugene) & Bertrand, Gary L.
Object Type:
Article
System:
The UNT Digital Library
CO₂ Reduction on Transition Metal (Fe, Co, Ni, and Cu) Surfaces: In Comparison with Homogeneous Catalysis
Article discussing research on CO₂ reduction on transition metal (Fe, Co, Ni, and Cu) surfaces and a comparison with homogeneous catalysis.
Date:
February 22, 2012
Creator:
Liu, Cong; Cundari, Thomas R., 1964- & Wilson, Angela K.
Object Type:
Article
System:
The UNT Digital Library
Carbon Dioxide Migration Pathways in Proteins
Article discussing research on carbon dioxide migration pathways in proteins.
Date:
March 4, 2012
Creator:
Drummond, Michael L.; Wilson, Angela K. & Cundari, Thomas R., 1964-
Object Type:
Article
System:
The UNT Digital Library
Cooperative Carbon Capture Capabilities in Multivariate MOFs Decorated with Amino Acid Side Chains: A Computational Study
This article discusses cooperative carbon capture capabilities in metal organic frameworks decorated with amino acid side chains.
Date:
June 5, 2013
Creator:
Drummond, Michael L.; Cundari, Thomas R., 1964- & Wilson, Angela K.
Object Type:
Article
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.
Object Type:
Article
System:
The UNT Digital Library
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.
Object Type:
Article
System:
The UNT Digital Library
IUPAC-NIST Solubility Data Series. 99. Solubility of Benzoic Acid and Substituted Benzoic Acids in Both Neat Organic Solvents and Organic Solvent Mixtures.
Article on the solubility of benzoic acid and substituted benzoic acids in both neat organic solvents and organic solvent mixtures.
Date:
May 15, 2013
Creator:
Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library