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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 (open access)

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 (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
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] (open access)

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
CO₂ Reduction on Transition Metal (Fe, Co, Ni, and Cu) Surfaces: In Comparison with Homogeneous Catalysis (open access)

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 (open access)

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 (open access)

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 (open access)

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 (open access)

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 (open access)

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 (open access)

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 (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
Prediction of Toxicity, Sensory Responses and Biological Responses with the Abraham Model (open access)

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 (open access)

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
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 (open access)

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
Supporting Material for: Thermochemical Investigations of Solute Transfer into Ionic Liquid Solvents: Updated Abraham Model Equation Coefficients for Solute Activity Coefficient and Partition Coefficient Predictions (open access)

Supporting Material for: Thermochemical Investigations of Solute Transfer into Ionic Liquid Solvents: Updated Abraham Model Equation Coefficients for Solute Activity Coefficient and Partition Coefficient Predictions

This document includes supplemental material to an article titled "Thermochemical Investigations of Solute Transfer into Ionic Liquid Solvents: Updated Abraham Model Equation Coefficients for Solute Activity Coefficient and Partition Coefficient Predictions," published in Physics and Chemistry of Liquids.
Date: February 25, 2014
Creator: Stephens, Timothy W.; Chou, Vicky; Quay, Amanda N.; Shen, Connie; Dabadge, Nishu; Tian, Amy et al.
Object Type: Text
System: The UNT Digital Library
Comments Concerning "Study of Molecular Interaction in Binary Liquid Mixtures of Ethyl Acetoacetate with Chloroform and Dimethylsulphoxide using Excess Acoustic Parameters and Spectroscopic Methods (open access)

Comments Concerning "Study of Molecular Interaction in Binary Liquid Mixtures of Ethyl Acetoacetate with Chloroform and Dimethylsulphoxide using Excess Acoustic Parameters and Spectroscopic Methods

Article commenting on a previously published article, "Study of molecular interaction in binary liquid mixtures of ethyl acetoacetate with chloroform and dimethylsulphoxide using excess acoustic parameters and spectroscopic methods."
Date: February 18, 2014
Creator: Acree, William E. (William Eugene) & Stephens, Timothy W.
Object Type: Article
System: The UNT Digital Library
Thermochemical Investigations of Solute Transfer into Ionic Solvents: Updated Abraham Model Equation Coefficients for Solute Activity Coefficient and Partition Coefficient Predictions (open access)

Thermochemical Investigations of Solute Transfer into Ionic Solvents: Updated Abraham Model Equation Coefficients for Solute Activity Coefficient and Partition Coefficient Predictions

Article on thermochemical investigations of solute transfer into ionic liquid solvents and updated Abraham model equation coefficients for solute activity coefficient and partition coefficient predictions.
Date: February 25, 2014
Creator: Stephens, Timothy W.; Chou, Vicky; Quay, Amanda N.; Shen, Connie; Dabadge, Nishu; Tian, Amy et al.
Object Type: Article
System: The UNT Digital Library
Controlled Depositions of Metal and Metal Cluster Ions by Surface Field Patterning in Soft-Landing Devices (open access)

Controlled Depositions of Metal and Metal Cluster Ions by Surface Field Patterning in Soft-Landing Devices

Patent relating to controlled deposition of metal and metal cluster ions by surface field patterning in soft-landing devices.
Date: April 19, 2011
Creator: Verbeck, Guido F. & Davila, Stephen
Object Type: Patent
System: The UNT Digital Library
3,5-Bis(4-chlorobenzylidene)-1-methyl-piperidin-4-one (open access)

3,5-Bis(4-chlorobenzylidene)-1-methyl-piperidin-4-one

In the title molecule, C₂₀H₁₇Cl₂NO, the central heterocyclic ring adopts a flattened boat conformation.
Date: February 23, 2011
Creator: Nesterov, Volodymyr V.; Sarkisov, Sergey S.; Shulaev, Vladimir & Nesterov, Vladimir N.
Object Type: Article
System: The UNT Digital Library
A Dual-Modality System for Both Multi-Color Ultrasound-Switchable Fluorescence and Ultrasound Imaging (open access)

A Dual-Modality System for Both Multi-Color Ultrasound-Switchable Fluorescence and Ultrasound Imaging

This article discusses the development of a dual-modality imaging system by combining recently developed ultrasound-switchable fluorescence (USF) imaging technology with the conventional ultrasound (US) B-mode imaging.
Date: February 4, 2017
Creator: Kandukuri, Jayanth; Yu, Shuai; Cheng, Bingbing; Bandi, Venugopal; D'Souza, Francis; Nguyen, Kytai T. et al.
Object Type: Article
System: The UNT Digital Library
Electrochemically synthesized polymers in molecular imprinting for chemical sensing (open access)

Electrochemically synthesized polymers in molecular imprinting for chemical sensing

This critical review describes a class of polymers prepared by electrochemical polymerization that employs the concept of molecular imprinting for chemical sensing.
Date: February 3, 2012
Creator: Sharma, Piyush S.; Pietrzyk-Le, Agnieszka; D'Souza, Francis & Kutner, Wlodzimierz
Object Type: Review
System: The UNT Digital Library

Commentary on "Thermodynamic equilibrium of hydroxyacetic acid in pure and binary solvent systems"

This article discusses published mathematical representations by Huant et al. (2017) for describing how the measured mole fraction solubility varies with solvent composition in the binary (ethanol + ethyl acetate) and binary (acetone + ethanol) solvent systems.
Date: February 2, 2017
Creator: Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library

Solution thermodynamics and preferential solvation of sulfamethazine in (methanol + water) mixtures

This article discusses the determination of the solubility of sulfamethazine (SMT) in {methanol (1) + water (2)} co-solvent mixtures at five different temperatures from 293.15 K to 313.15 K. The Jouyban-Acree model was used to correlate/predict the solubility values.
Date: February 2, 2016
Creator: Delgado, Daniel R.; Almanza, Ovidio A.; Martínez, Fleming; Peña, María Á.; Jouyban, Abolghasem & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library