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824 Matching Results
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Blood Liver Organic Solute Descriptors Dataset
Dataset generated for research on blood liver organic solute descriptors.
Date:
July 11, 2014
Creator:
Kuprasertkul, Nina; Mehta, Sumedha & Wadawadigi, Akash
Object Type:
Dataset
System:
The UNT Digital Library
Goldfish Dataset
Dataset generated for research on goldfish.
Date:
July 11, 2014
Creator:
Kuprasertkul, Nina; Mehta, Sumedha & Wadawadigi, Akash
Object Type:
Dataset
System:
The UNT Digital Library
Rediscovery of the Elements: Niobium and Tantalum
Article describing the discovery of niobium and tantalum. Tourist information regarding locations significant to these discoveries are included.
Date:
Autumn 2013
Creator:
Marshall, James L., 1940- & Marshall, Virginia R.
Object Type:
Article
System:
The UNT Digital Library
Applications of Hydrogen Gas Getters in Mass Spectrometry
Patent relating to applications of hydrogen gas getters in mass spectrometry.
Date:
December 30, 2009
Creator:
Verbeck, Guido F.
Object Type:
Patent
System:
The UNT Digital Library
Kinetic studies of the reaction of atomic sulfur with acetylene
Article on kinetic studies of the reaction of atomic sulfur with acetylene.
Date:
June 25, 2014
Creator:
Ayling, Sean; Gao, Yide & Marshall, Paul
Object Type:
Article
System:
The UNT Digital Library
Accurate quantum chemical energies for tetrapeptide conformations: why MP2 data with an insufficient basis set should be handled with caution
This article discusses potential problems if the widely-applied MP2 approach is used in such situations with basis sets of insufficient size.
Date:
January 29, 2013
Creator:
Goerigk, Lars; Karton, Amir; Martin, Jan M. L. & Radom, Leo
Object Type:
Article
System:
The UNT Digital Library
Periodic and Molecular Modeling Study of Donor - Acceptor Interactions in (dbbpy)Pt(tdt) • TENF and [Pt(dbbpy)(tdt)]₂ • TENF
This article discusses a periodic and molecular modeling study. Supramolecular stacked materials (dbbpy)Pt(tdt)•TENF and [Pt(dbbpy)(tdt)]₂•TENF are built from (dbbpy)Pt(tdt) donors (D) with TENF acceptors (A) (TENF = 2,4,5,7-tetranitro-9-fluorenone; dbbpy = 4,4'-di-tert-butyl-2,2'-bipyridine; tdt = 3,4-toluenedithiolate).
Date:
January 15, 2010
Creator:
Cundari, Thomas R., 1964-; Chilukuri, Bhaskar; Hudson, Joshua M.; Minot, Christian; Omary, Mohammad A. & Rabaâ, Hassan
Object Type:
Article
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.
Object Type:
Article
System:
The UNT Digital Library
Kinetics of the Reaction of Atomic Oxygen with Tetramethylsilane
Article on kinetics of the reaction of atomic oxygen with tetramethylsilane.
Date:
April 1993
Creator:
Ding, Luying & Marshall, Paul
Object Type:
Article
System:
The UNT Digital Library
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