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Cyclooctatetraenes Tetrakis-Annelated with α-Dithio- or α-Diselenocarbonyl Groups: Diradicals Predicted To Have Ground States with 10 π Electrons in the Eight-Membered Ring and Two-Center, Three-Electron, σ Bonds between Two Pairs of Chalcogen Atoms
Article on cyclooctatetraenes tetrakis-annelated with α-dithio- or α-diselenocarbonyl groups.
Date:
February 12, 2010
Creator:
Zhou, Xin; Hrovat, David A. & Borden, Weston T.
Object Type:
Article
System:
The UNT Digital Library
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
Experimental and Computational Studies of the Isomerization Reactions of Bidentate Phosphine Ligands in Triosmium Clusters: Kinetics of the Rearrangements from Bridged to Chelated Isomers and X-ray Structures of the Clusters Os3 (CO)10 (dppbz), 1,1-Os3 (CO)10 (dppbzF4), HOs3 (CO)9 [μ -1,2-PhP (C6H4-ɳ1) C6H4PPh2], and HOs3 (CO)9- [μ-1,2-PhP (C6H4-ɳ 1) C6F4PPh2]
Article on experimental and computational studies of the isomerization reactions of bidentate phosphine ligands in triosmium clusters.
Date:
February 22, 2011
Creator:
Zhang, Xue; Kandala, Srikanth; Yang, Li; Watson, William H.; Wang, Xiaoping; Hrovat, David A. et al.
Object Type:
Article
System:
The UNT Digital Library
Function of Conserved Residues of Human Glutathione Synthetase: Implications for the ATP-grasp Enzymes
This article discusses human glutathione synthetase, an enzyme that belongs to the glutathione synthetase ATP-binding domain-like superfamily.
Date:
February 27, 2004
Creator:
Dinescu, Adriana; Cundari, Thomas R., 1964-; Bhansali, Vikas S.; Luo, Jia-Li & Anderson, Mary E.
Object Type:
Article
System:
The UNT Digital Library
Unusual Electronic Features and Reactivity of the Dipyridylazaallyl Ligand: Characterizations of (smif)2M [M = Fe, Co, Co+, Ni; smif = {(2-py)CH}2N] and [(TMS)2NFe]2(smif)2
Article discussing unusual electronic features and reactivity of the dipyridylazaallyl ligand and characterizations of (smif)2M [M = Fe, Co, Co+, Ni; smif = {(2-py)CH}2N and [(TMS)2NFe] 2(smif)2.
Date:
February 19, 2009
Creator:
Frazier, Brenda A.; Wolczanski, Peter T.; Lobkovsky, Emil B. & Cundari, Thomas R., 1964-
Object Type:
Article
System:
The UNT Digital Library
Oxygen Atom Transfer Energetics: Assessment of the Effect of Method and Solvent
This article discusses oxygen atom transfer energetics.
Date:
February 23, 2006
Creator:
Dinescu, Adriana; Whiteley, Clinton; Combs, Rachel R. & Cundari, Thomas R., 1964-
Object Type:
Article
System:
The UNT Digital Library
Conversions of Ruthenium (III) Alkyl Complexes to Ruthenium (II) through Ru-Calkyl Bond Homolysis
This article discusses conversions of Ruthenium(III) alkyl complexes.
Date:
February 12, 2005
Creator:
Lail, Marty; Gunnoe, T. Brent; Barakat, Khaldoon A. & Cundari, Thomas R., 1964-
Object Type:
Article
System:
The UNT Digital Library
Reactions of a Ru(II) Phenyl Complex with Substrates that Possess C-N or C-O Multiple Bonds: C-C Bond Formation, N-H Bond Cleavage, and Decarbonylation Reactions
Article on the reactions of an Ru(II) phenyl complex with substrates that possess C-N or C-O multiple bonds and C-C bond formation, N-H bond cleavage, and decarbonylation reactions.
Date:
February 8, 2006
Creator:
Lee, John P.; Pittard, Karl A.; DeYonker, Nathan J.; Cundari, Thomas R., 1964-; Gunnoe, T. Brent & Petersen, Jeffrey L.
Object Type:
Article
System:
The UNT Digital Library
Coinage Metal-Ethylene Complexes Supported by Tris(pyrazolyl)borates: A Computational Study
Article discussing a computational study of coinage metal-ethylene complexes supported by tris(pyrazolyl)borates.
Date:
February 18, 2009
Creator:
Kazi, Abul B.; Dias, H. V. Rasika; Tekarli, Sammer M.; Morello, Glenn R. & Cundari, Thomas R., 1964-
Object Type:
Article
System:
The UNT Digital Library
Six-, Five-, and Four-Coordinate Ruthenium(II) Hydride Complexes Supported by N-Heterocyclic Carbene Ligands: Synthesis, Characterization, Fundamental Reactivity, and Catalytic Hydrogenation of Olefins, Aldehydes, and Ketones
This article discusses six-, five-, and four-coordinate ruthenium(II) hydride complexes.
Date:
February 20, 2009
Creator:
Lee, John P.; Ke, Zhuofeng; Ramírez, Magaly A.; Gunnoe, T. Brent; Cundari, Thomas R., 1964-; Boyle, Paul D. et al.
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
Activation of water on the TiO2 (110) surface: The case of Ti adatoms
Article on the activation of water on the TiO2 (110) surface.
Date:
February 8, 2012
Creator:
Miao, Meng; Liu, Yingchun; Wang, Qi; Wu, Tao; Huang, Liping; Gubbins, Keith E. et al.
Object Type:
Article
System:
The UNT Digital Library
Electric Field Induced Phase Transitions in Polymers: A Novel Mechanism for High Speed Energy Storage
This article discusses electric field induced phase transitions in polymers.
Date:
February 23, 2012
Creator:
Ranjan, Vivek; Buongiorno Nardelli, Marco & Bernholc, Jerry
Object Type:
Article
System:
The UNT Digital Library
Unexpected Structures for Intercalation of Sodium in Epitaxial Graphene-SiC Interfaces
In this paper, the authors show using scanning tunneling microscopy, spectroscopy, and ab initio calculations that several intercalation structures exist for Na in epitaxial graphene on SiC(0001). Intercalation takes place at room temperature and Na electron-dopes the graphene. It intercalates in-between single-layer graphene and the carbon-rich interfacial layer. It also penetrates beneath the interfacial layer and decouples it to form a second graphene layer. This decoupling is accelerated by annealing and is verified by direct Na deposition onto the interface layer. The authors' observations show that intercalation in graphene is fundamentally different than in graphite and is a versatile means of electronic control.
Date:
February 2012
Creator:
Sandin, Andreas; Jayasekera, Thushari; Rowe, J. E.; Kim, Ki Wook; Buongiorno Nardelli, Marco & Dougherty, Daniel B.
Object Type:
Paper
System:
The UNT Digital Library
IUPAC-NIST Solubility Data Series. 98. Solubility of Polycyclic Aromatic Hydrocarbons in Pure and Organic Solvent Mixtures: Revised and Updated. Part 1. Binary Solvent Mixtures
Article on the solubility of polycyclic aromatic hydrocarbons in pure and organic solvent mixtures. This work updates volumes 54, 58, and 59 in the IUPAC Solubility Data Series and presents solubility data for polycyclic aromatic hydrocarbon solutes dissolved in binary organic solvent mixtures.
Date:
February 28, 2013
Creator:
Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
IUPAC-NIST Solubility Data Series. 98. Solubility of Polycyclic Aromatic Hydrocarbons in Pure and Organic Solvent Mixtures: Revised and Updated. Part 2. Ternary Solvent Mixtures
Article on the solubility of polycyclic aromatic hydrocarbons in pure and organic solvent mixtures. This work updates volumes 54, 58, and 59 in the IUPAC Solubility Data Series and presents solubility data for polycyclic aromatic hydrocarbon solutes dissolved in ternary organic solvent mixtures.
Date:
February 28, 2013
Creator:
Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Prediction of Partition Coeffecients and Permeability of Drug Molecules in Biological Systems with Abraham Model Solute Descriptors Derived from Measured Solubilities and Water-to-Organic Solvent Partition Coefficients
Book chapter on the prediction of partition coefficients and permeability of drug molecules in biological systems with Abraham model solute descriptors derived from measured solubilities and water-to-organic solvent partition coefficients.
Date:
February 10, 2012
Creator:
Acree, William E. (William Eugene); Grubbs, Laura M. & Abraham, M. H. (Michael H.)
Object Type:
Book Chapter
System:
The UNT Digital Library
Response to "A critique of Abraham and Acree's correlation for deca-1,9-diene/water partition coefficients"
This article is a response to "A critique of Abraham and Acree's correlation for deca-1,9-diene/water partition coefficients," published in New Journal of Chemistry, 2013.
Date:
February 1, 2013
Creator:
Abraham, M. H. (Michael H.) & Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
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
Prediction of Toxicity, Sensory Responses and Biological Responses with the Abraham Model
This book chapter discusses the prediction of toxicity, sensory responses and biological responses with the Abraham model.
Date:
February 10, 2012
Creator:
Acree, William E. (William Eugene); Grubbs, Laura M. & Abraham, M. H. (Michael H.)
Object Type:
Book Chapter
System:
The UNT Digital Library
Determination of solvation descriptors for terpene hydrocarbons from chromatographic measurements
This article discusses the determination of solvation descriptors for terpene hydrocarbons from chromatographic measurements.
Date:
February 2013
Creator:
Abraham, M. H. (Michael H.); Gola, Joelle R. M.; Gil-Lostes, Javier; Acree, William E. (William Eugene) & Cometto-Muñiz, J. Enrique
Object Type:
Article
System:
The UNT Digital Library
Thermodynamic Properties of Three Pyridine Carboxylic Acid Methyl Ester Isomers
This article discusses the thermodynamic properties of three pyridine carboxylic acid methyl ester isomers.
Date:
February 6, 2007
Creator:
Silva, Maria D. M. C. Ribeiro da; Freitas, Vera L. S.; Santos, Luís M. N. B. F.; Fulem, Michal; Sottomayor, M. J.; Monte, Manuel J. S. et al.
Object Type:
Article
System:
The UNT Digital Library
Solubility of Anthracene in Ternary Solvent Mixtures of 2,2,4-Trimethylpentane + 2-Propanone + Alcohols at 298.15 K
This article discusses the solubility of anthracene in ternary solvent mixtures of 2,2,4-trimethylpentane + 2-propanone + alcohols at 298.15 K.
Date:
February 27, 2008
Creator:
Shayanfar, Ali; Soltani, Somaieh; Jabbaribar, Farnaz; Tamizi, Elnaz; Acree, William E. (William Eugene) & Jouyban, Abolghasem
Object Type:
Article
System:
The UNT Digital Library
Quantitative structure-property relationship studies for predicting gas to carbon tetrachloride solvation enthalpy based on partial least squares, artificial neural network and support vector machine
Article on quantitative structure-property relationship studies for predicting gas to carbon tetrachloride solvation enthalpy based on partial least squares, artificial neural network and support vector machine.
Date:
February 20, 2012
Creator:
Dashtbozorgi, Zahra; Golmohammadi, Hassan & Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library