The transfer of neutral molecules, ions and ionic species from water to benzonitrile; comparison with nitrobenzene (open access)

The transfer of neutral molecules, ions and ionic species from water to benzonitrile; comparison with nitrobenzene

Article on the transfer of neutral molecules, ions and ionic species from water to benzonitrile and a comparison with nitrobenzene.
Date: October 15, 2011
Creator: Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.)
Object Type: Article
System: The UNT Digital Library
Partition Coefficients of Organic Compounds in Four New Tetraalkylammonium Bis(trifluoromethylsulfonyl)imide Ionic Liquids Using Inverse Gas Chromatography (open access)

Partition Coefficients of Organic Compounds in Four New Tetraalkylammonium Bis(trifluoromethylsulfonyl)imide Ionic Liquids Using Inverse Gas Chromatography

This article discusses partition coefficients of organic compounds in four new tetraalkylammonium bis(trifluoromethylsulfonyl)imide ionic liquids using inverse gas chromatography.
Date: August 18, 2011
Creator: Acree, William E. (William Eugene); Baker, Gary A.; Mutelet, Fabrice & Moïse, Jean-Charles
Object Type: Article
System: The UNT Digital Library
Selection of Ionic Liquid Solvents for Chemical Separations Based on the Abraham Model (open access)

Selection of Ionic Liquid Solvents for Chemical Separations Based on the Abraham Model

Book chapter on the selection of ionic liquid solvents for chemical separations based on the Abraham model.
Date: February 21, 2011
Creator: Acree, William E. (William Eugene); Grubbs, Laura M. & Abraham, M. H. (Michael H.)
Object Type: Book Chapter
System: The UNT Digital Library
Solubility of Phenothiazine in Water, Ethanol, and Propylene Glycol at (298.2 to 338.2) K and Their Binary and Ternary Mixtures at 298.2 K (open access)

Solubility of Phenothiazine in Water, Ethanol, and Propylene Glycol at (298.2 to 338.2) K and Their Binary and Ternary Mixtures at 298.2 K

Article on the solubility of phenothiazine in water, ethanol, and propylene glycol at (298.2 to 338.2) K and their binary and ternary mixtures at 298.2 K.
Date: June 2, 2011
Creator: Ahmadian, Somaieh; Panahi-Azar, Vahid; Fakhree, Mohammad Amin Abolghassemi; Acree, William E. (William Eugene) & Jouyban, Abolghasem
Object Type: Article
System: The UNT Digital Library
Cooperative Effects in the Annelation of Benzene by Multiple Etheno Groups (open access)

Cooperative Effects in the Annelation of Benzene by Multiple Etheno Groups

Article on cooperative effects in the annelation of benzene by multiple etheno groups.
Date: April 20, 2011
Creator: Bao, Xiaoguang; Hrovat, David A. & Borden, Weston T.
Object Type: Article
System: The UNT Digital Library
Composition of Epoxy Resin, Aliphatic Amine Curing Agent and Halogenated Amine (open access)

Composition of Epoxy Resin, Aliphatic Amine Curing Agent and Halogenated Amine

Patent relating to the composition of epoxy resin, aliphatic amine curing agent and halogenated amine.
Date: March 10, 2009
Creator: Bilyeu, Bryan; Brostow, Witold, 1934- & Menard, Kevin P.
Object Type: Patent
System: The UNT Digital Library
Current Applications of Computational Chemistry in JACS - Molecules, Mechanisms, and Materials (open access)

Current Applications of Computational Chemistry in JACS - Molecules, Mechanisms, and Materials

Article discussing molecules, mechanisms, and materials and current applications of computational chemistry in the Journal of the American Chemical Society (JACS).
Date: September 21, 2011
Creator: Borden, Weston T.
Object Type: Article
System: The UNT Digital Library
With a Little Help from My Friends: Forty Years of Fruitful Chemical Collaborations (open access)

With a Little Help from My Friends: Forty Years of Fruitful Chemical Collaborations

Article discussing forty years of fruitful chemical collaborations and the author's perspective on collaborative research in eight different areas of organic and theoretical chemistry.
Date: March 31, 2011
Creator: Borden, Weston T.
Object Type: Article
System: The UNT Digital Library
ASPARTATE 458 of Human Glutathione Synthetase is Important for Cooperativity and Active Site Structure (open access)

ASPARTATE 458 of Human Glutathione Synthetase is Important for Cooperativity and Active Site Structure

Article discussing ASPARTATE 458 of human glutathione synthetase.
Date: August 5, 2011
Creator: Brown, Teresa R.; Drummond, Michael L.; Barelier, Sarah; Crutchfield, Amanda S.; Dinescu, Adriana; Slavens, Kerri D. et al.
Object Type: Article
System: The UNT Digital Library
Modeling the Deposition of Metal Atoms on a p-Type Organometallic Conductor: Implications for Stability and Electron Transfer (open access)

Modeling the Deposition of Metal Atoms on a p-Type Organometallic Conductor: Implications for Stability and Electron Transfer

Article discussing modeling the deposition of metal atoms on a p-Type organometallic conductor and implications for stability and electron transfer.
Date: March 10, 2011
Creator: Chilukuri, Bhaskar & Cundari, Thomas R., 1964-
Object Type: Article
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.
Object Type: Article
System: The UNT Digital Library
Inhibition of hydrogen oxidation by HBr and Br2 (open access)

Inhibition of hydrogen oxidation by HBr and Br2

Article on the inhibition of hydrogen oxidation by HBr and Br2.
Date: September 13, 2011
Creator: Dixon-Lewis, Graham; Marshall, Paul; Ruscic, Branko; Burcat, Alexander; Goos, Elke; Cuoci, Alberto et al.
Object Type: Article
System: The UNT Digital Library
A Masked Two-Coordinate Cobalt (I) Complex That Activates C-F Bonds (open access)

A Masked Two-Coordinate Cobalt (I) Complex That Activates C-F Bonds

This article discusses a masked two-coordinate cobalt(I) complex that activates C-F bonds.
Date: July 19, 2011
Creator: Dugan, Thomas R.; Sun, Xianru; Rybak-Akimova, Elena V.; Olatunji-Ojo, Olayinka; Cundari, Thomas R., 1964- & Holland, Patrick L.
Object Type: Article
System: The UNT Digital Library
Carbon-Oxygen Bond Formation via Organometallic Baeyer-Villiger Transformations: A Computational Study on the Impact of Metal Identity (open access)

Carbon-Oxygen Bond Formation via Organometallic Baeyer-Villiger Transformations: A Computational Study on the Impact of Metal Identity

Article discussing a computational study on the impact of metal identity and carbon-oxygen bond formation via organometallic Baeyer-Villiger transformations.
Date: December 20, 2011
Creator: Figg, Travis M.; Webb, Joanna R.; Cundari, Thomas R., 1964- & Gunnoe, T. Brent
Object Type: Article
System: The UNT Digital Library
An experimental and computational study of the reaction of ground-state sulfur atoms with carbon disulfide (open access)

An experimental and computational study of the reaction of ground-state sulfur atoms with carbon disulfide

Article on an experimental and computational study of the reaction of ground-state sulfur atoms with carbon disulfide.
Date: October 12, 2011
Creator: Gao, Yide & Marshall, Paul
Object Type: Article
System: The UNT Digital Library
Kinetic and Modeling Studies of the Reaction S + H2S (open access)

Kinetic and Modeling Studies of the Reaction S + H2S

Article on kinetic and modeling studies of the reaction S + H2S.
Date: 2011
Creator: Gao, Yide; Zhou, Chenlai Ryan; Sendt, Karina; Goumri, Abdellatif; Haynes, Brian S. & Marshall, Paul
Object Type: Article
System: The UNT Digital Library
Beyond platinum: synthesis, characterization, and in vitro toxicity of Cu(II)-releasing polymer nanoparticles for potential use as a drug delivery vector (open access)

Beyond platinum: synthesis, characterization, and in vitro toxicity of Cu(II)-releasing polymer nanoparticles for potential use as a drug delivery vector

Article on synthesis, characterization, and in vitro toxicity of Cu(II)-releasing polymer nanoparticles for potential use as a drug delivery vector.
Date: July 11, 2011
Creator: Harris, Alesha N.; Hinojosa, Barbara R.; Chavious, Montaleé D. & Petros, Robby A.
Object Type: Article
System: The UNT Digital Library
Photoelectron Spectroscopic Study of the Oxyallyl Diradical (open access)

Photoelectron Spectroscopic Study of the Oxyallyl Diradical

Article on a photoelectron spectroscopic study of the oxyallyl diradical.
Date: February 16, 2011
Creator: Ichino, Takatoshi; Villano, Stephanie M.; Gianola, Adam J.; Goebbert, Daniel J.; Velarde, Luis; Sanov, Andrei et al.
Object Type: Article
System: The UNT Digital Library
Electronic properties of the graphene/6H-SiC(0001̅ ) interface: A first-principles study (open access)

Electronic properties of the graphene/6H-SiC(0001̅ ) interface: A first-principles study

This article discusses electronic properties of the graphene/6H-SiC(0001̅) interface.
Date: July 27, 2011
Creator: Jayasekera, Thushari; Xu, Shu; Kim, Ki Wook & Buongiorno Nardelli, Marco
Object Type: Article
System: The UNT Digital Library
Toward Accurate Theoretical Thermochemistry of First Row Transition Metal Complexes (open access)

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
Electron transport properties of bilayer graphene (open access)

Electron transport properties of bilayer graphene

This article discusses electron transport properties of bilayer graphene.
Date: November 23, 2011
Creator: Li, X.; Borysenko, K. M.; Buongiorno Nardelli, Marco & Kim, Ki Wook
Object Type: Article
System: The UNT Digital Library

The Synergy Between Qualitative Theory, Quantitative Calculations, and Direct Experiments in Understanding, Calculating, and Measuring the Energy Differences Between the Lowest Singlet and Triplet States of Organic Diradicals

Article discussing the synergy between qualitative theory, quantitative calculations, and direct experiments in understanding, calculating, and measuring the energy differences between the lowest singlet and triplet states of organic diradicals.
Date: April 18, 2012
Creator: Lineberger, W. Carl & Borden, Weston T.
Object Type: Article
System: The UNT Digital Library
High pressure oxidation of C2H4/NO mixtures (open access)

High pressure oxidation of C2H4/NO mixtures

Article on high pressure oxidation of C2H4/NO mixtures.
Date: 2011
Creator: Lopez, Jorge Gimenez; Alzueta, María U.; Rasmussen, Christian Lund; Marshall, Paul & Glarborg, Peter
Object Type: Article
System: The UNT Digital Library
The 2011 Beta Eta Spring Banquet. Celebration of Rediscovery of the Elements (open access)

The 2011 Beta Eta Spring Banquet. Celebration of Rediscovery of the Elements

Article describing an Eta Beta celebration of the completion of James and Virginia Marshall's "Rediscovery of the Elements." Photographs from the event are included. Three separate articles appear on the right side of the page.
Date: Summer 2011
Creator: Marshall, James L., 1940-
Object Type: Article
System: The UNT Digital Library