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Improvement of Quality in Publication of Experimental Thermophysical Property Data: Challenges, Assessment Tools, Global Implementation, and Online Support (open access)

Improvement of Quality in Publication of Experimental Thermophysical Property Data: Challenges, Assessment Tools, Global Implementation, and Online Support

Article on the improvement of quality in the publication of experimental thermophysical property data.
Date: September 6, 2013
Creator: Chirico, Robert D.; Frenkel, Michael; Magee, Joseph W.; Diky, Vladimir; Muzny, Chris D.; Kazakov, Andrei F. et al.
Object Type: Article
System: The UNT Digital Library
Phonon engineering in nanostructures: Controlling interfacial thermal resistance in multilayer-graphene/dielectric heterojunctions (open access)

Phonon engineering in nanostructures: Controlling interfacial thermal resistance in multilayer-graphene/dielectric heterojunctions

Article discussing phonon engineering in nanostructures and controlling interfacial thermal resistance in multilayer-graphene/dielectric heterojunctions.
Date: September 13, 2012
Creator: Mao, R.; Kong, Byoung Don; Kim, Ki Wook; Jayasekera, Thushari; Calzolari, Arrigo & Buongiorno Nardelli, Marco
Object Type: Article
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
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
Abraham model correlations for solute partitioning into o-xylene, m-xylene and p-xylene from both water and the gas phase (open access)

Abraham model correlations for solute partitioning into o-xylene, m-xylene and p-xylene from both water and the gas phase

Article on Abraham model correlations for solute partitioning into o-xylene, m-xylene and p-xylene from both water and the gas phase.
Date: September 2011
Creator: Stephens, Timothy W.; De la Rosa, Nohelli E.; Saifullah, Mariam; Ye, Shulin; Chou, Vicky; Quay, Amanda N. et al.
Object Type: Article
System: The UNT Digital Library
Predicted thermochemistry and unimolecular kinetics of nitrous sulfide (open access)

Predicted thermochemistry and unimolecular kinetics of nitrous sulfide

Article on predicted thermochemistry and unimolecular kinetics of nitrous sulfide.
Date: September 1, 2011
Creator: Marshall, Paul; Gao, Yide & Glarborg, Peter
Object Type: Article
System: The UNT Digital Library
Supporting information for Abraham model correlations for solute partitioning into o-xylene, m-xylene and p-xylene from both water and the gas phase (open access)

Supporting information for Abraham model correlations for solute partitioning into o-xylene, m-xylene and p-xylene from both water and the gas phase

This document includes supporting information and figures for an article on the Abraham model correlations for solute partitioning into o-xylene, m-xylene and p-xylene from both water and the gas phase.
Date: September 2011
Creator: Stephens, Timothy W.; De la Rosa, Nohelli E.; Saifullah, Mariam; Ye, Shulin; Quay, Amanda N.; Chou, Vicky et al.
Object Type: Text
System: The UNT Digital Library
Through-Bond Interactions in the Diradical Intermediates Formed in the Rearrangements of Bicyclo[n.m.0]alkatetraenes (open access)

Through-Bond Interactions in the Diradical Intermediates Formed in the Rearrangements of Bicyclo[n.m.0]alkatetraenes

Article on through-bond interactions in the diradical intermediates formed in the rearrangements of bicyclo[n.m.0]alkatetraenes.
Date: September 24, 2010
Creator: Lovitt, Charity Flener; Dong, Hao; Hrovat, David A.; Gleiter, Rolf & Borden, Weston T.
Object Type: Article
System: The UNT Digital Library
Mathematical correlations for describing enthalpies of solvation of organic vapors and gaseous solutes into ionic liquid solvents (open access)

Mathematical correlations for describing enthalpies of solvation of organic vapors and gaseous solutes into ionic liquid solvents

Article discussing the mathematical correlations for describing enthalpies of solvation of organic vapors and gaseous solutes into ionic liquid solvents.
Date: September 20, 2010
Creator: Grubbs, Laura M.; Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.)
Object Type: Article
System: The UNT Digital Library
First-Principles-Based Kinetic Monte Carlo Simulation of Nitric Oxide Reduction over Platinum Nanoparticles under Lean-Burn Conditions (open access)

First-Principles-Based Kinetic Monte Carlo Simulation of Nitric Oxide Reduction over Platinum Nanoparticles under Lean-Burn Conditions

This article discusses first-principles-based kinetic Monte Carlo simulation of Nitric Oxide reduction.
Date: September 16, 2010
Creator: Mei, Donghai; Du, Jincheng & Neurock, Matthew
Object Type: Article
System: The UNT Digital Library
Solubility of Budesonide, Hydrocortisone, and Prednisolone in Ethanol + Water Mixtures at 298.2 K (open access)

Solubility of Budesonide, Hydrocortisone, and Prednisolone in Ethanol + Water Mixtures at 298.2 K

This article discusses the solubility of budesonide, hydrocortisone, and prednisolone in ethanol and water mixtures at 298.2 K.
Date: September 14, 2009
Creator: Ali, Hany Saleh Mohamed; Blagden, Nicholas; York, Peter; Soltanpour, Shahla; Acree, William E. (William Eugene) & Jouyban, Abolghasem
Object Type: Article
System: The UNT Digital Library
Partition Coefficients of Organic Compounds in New Imidazolium and Tetralkylammonium Based Ionic Liquids Using Inverse Gas Chromatography (open access)

Partition Coefficients of Organic Compounds in New Imidazolium and Tetralkylammonium Based Ionic Liquids Using Inverse Gas Chromatography

This article discusses partition coefficients of organic compounds in new imidazolium and tetralkylammonium based ionic liquids using inverse gas chromatography.
Date: September 11, 2009
Creator: Mutelet, Fabrice; Revelli, Anne-Laure; Jaubert, Jean-Noël; Sprunger, Laura M.; Baker, Gary A. & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Low Coordinate, Monomeric Molybdenum and Tungsten(III) Complexes: Structure, Reactivity and Calculational Studies of (silox)3Mo and (silox)3ML (M = Mo, W; L = PMe3, CO; silox = tBu3SiO) (open access)

Low Coordinate, Monomeric Molybdenum and Tungsten(III) Complexes: Structure, Reactivity and Calculational Studies of (silox)3Mo and (silox)3ML (M = Mo, W; L = PMe3, CO; silox = tBu3SiO)

This article discusses low coordinate, monomeric molybdenum and tungsten(III) complexes.
Date: September 6, 2008
Creator: Kuiper, David S.; Wolczanski, Peter T.; Lobkovsky, Emil B. & Cundari, Thomas R., 1964-
Object Type: Article
System: The UNT Digital Library
Catalytic Tuning of a Phosphinoethane Ligand for Enhanced C-H Activation (open access)

Catalytic Tuning of a Phosphinoethane Ligand for Enhanced C-H Activation

Article discussing research on the catalytic tuning of a phosphinoethane ligand for enhanced C-H activation.
Date: September 5, 2008
Creator: Cundari, Thomas R., 1964-; Jimenez-Halla, J. Oscar C.; Morello, Glenn R. & Vaddadi, Sridhar
Object Type: Article
System: The UNT Digital Library
Onset of Ferrielectricity and the Hidden Nature of Nanoscale Polarization in Ferroelectric Thin Films (open access)

Onset of Ferrielectricity and the Hidden Nature of Nanoscale Polarization in Ferroelectric Thin Films

Article on the onset of ferrielectricity and the hidden nature of nanoscale polarization in ferroelectric thin films.
Date: September 5, 2008
Creator: Nuñez, Matías & Buongiorno Nardelli, Marco
Object Type: Article
System: The UNT Digital Library
An exploratory study of alkali sulfate aerosol formation during biomass combustion (open access)

An exploratory study of alkali sulfate aerosol formation during biomass combustion

Article on an exploratory study of alkali sulfate aerosol formation during biomass combustion.
Date: September 25, 2007
Creator: Hindiyarti, Lusi; Frandsen, Flemming; Livbjerg, Hans; Glarborg, Peter & Marshall, Paul
Object Type: Article
System: The UNT Digital Library
Enthalpy of Solvation Correlations for Gaseous Solutes Dissolved in Chloroform and 1,2-dichloroethane Based on the Abraham Model (open access)

Enthalpy of Solvation Correlations for Gaseous Solutes Dissolved in Chloroform and 1,2-dichloroethane Based on the Abraham Model

This article discusses enthalpy of solvation correlations for gaseous solutes dissolved in chloroform and 1,2-dichloroethane based on the Abraham model.
Date: September 15, 2007
Creator: Mintz, Christina; Burton, Katherine; Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.)
Object Type: Article
System: The UNT Digital Library

Experimental Thermochemical Study of 6-Chloro-2,3-dimethylquinoxaline 1,4-dioxide and DFT evaluation of the N-O bond enthalpies in related haloquinoxalines

Access: Use of this item is restricted to the UNT Community
Article discussing an experimental thermochemical study of 6-chloro-2,3-dimethylquinoxaline 1,4-dioxide and DFT evaluation of the N-O bond enthalpies in related haloquinoxalines.
Date: September 13, 2007
Creator: Gomes, José R. B.; Vieira, Mónica A. A.; Stovall, Dawn M.; Acree, William E. (William Eugene) & Silva, Maria D. M. C. Ribeiro da
Object Type: Article
System: The UNT Digital Library
Chemistry Surrounding Monomeric Copper(l) Methyl, Phenyl, Anilido, Ethoxide, and Phenoxide Complexes Supported by N-Heterocyclic Carbene Ligands: Reactivity Consistent with Both Early and Late Transition Metal Systems (open access)

Chemistry Surrounding Monomeric Copper(l) Methyl, Phenyl, Anilido, Ethoxide, and Phenoxide Complexes Supported by N-Heterocyclic Carbene Ligands: Reactivity Consistent with Both Early and Late Transition Metal Systems

Article on chemistry surrounding monomeric copper(I) methyl, phenyl, anilido, ethoxide, and phenoxide complexes supported by N-heterocyclic carbene ligands.
Date: September 27, 2006
Creator: Goj, Laurel A.; Blue, Elizabeth D.; Delp, Samuel A.; Gunnoe, T. Brent; Cundari, Thomas R., 1964-; Pierpont, Aaron W. et al.
Object Type: Article
System: The UNT Digital Library
Octahedral [TpRu(PMe3)2OR]n+ Complexes (Tp = hydridotris(pyrazolyl)borate; R = H or Ph; n = 0 or 1): Reactions at Ru(II) and Ru(III) Oxidation States with Substrates that Possess Carbon-Hydrogen Bonds (open access)

Octahedral [TpRu(PMe3)2OR]n+ Complexes (Tp = hydridotris(pyrazolyl)borate; R = H or Ph; n = 0 or 1): Reactions at Ru(II) and Ru(III) Oxidation States with Substrates that Possess Carbon-Hydrogen Bonds

This article discusses octahedral [TpRu(PMe3)2OR]n+ Complexes (Tp = hydridotris(pyrazolyl)borate.
Date: September 15, 2006
Creator: Feng, Yuee; Gunnoe, T. Brent; Grimes, Thomas V. & Cundari, Thomas R., 1964-
Object Type: Article
System: The UNT Digital Library
The correlation-consistent composite approach: Application to the G3/99 test set (open access)

The correlation-consistent composite approach: Application to the G3/99 test set

Article discussing research on the correlation consistent composite approach (ccCA) and an application to the G3/99 test set.
Date: September 13, 2006
Creator: DeYonker, Nathan J.; Grimes, Thomas V.; Yockel, Scott; Dinescu, Adriana; Mintz, Benjamin; Cundari, Thomas R., 1964- et al.
Object Type: Article
System: The UNT Digital Library
Comments on "Solvation Parameters. 2. A Simplified Molecular Topology to Generate Easily Optimized Values" (open access)

Comments on "Solvation Parameters. 2. A Simplified Molecular Topology to Generate Easily Optimized Values"

This article provides comments on "Solvation Parameters. 2. A Simplified Molecular Topology to Generate Easily Optimized Values," published in the Journal of Chemical Information and Modeling.
Date: September 8, 2006
Creator: Mintz, Christina; Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.)
Object Type: Article
System: The UNT Digital Library
The relaxation of OH (v = 1) and OD (v = 1) by H2O and D2O at temperatures from 251 to 390 K (open access)

The relaxation of OH (v = 1) and OD (v = 1) by H2O and D2O at temperatures from 251 to 390 K

Article on the relaxation of OH (v = 1) and OD (v = 1) by H₂O and D₂O at temperatures from 251 to 390 K.
Date: June 30, 2006
Creator: McCabe, D. C.; Rajakumar, B.; Marshall, Paul; Smith, Ian W. M. & Ravishankara, A. R.
Object Type: Article
System: The UNT Digital Library
Mathematical representation of solubility of amino acids in binary aqueous-organic solvent mixtures at various temperatures using the Jouyban-Acree model (open access)

Mathematical representation of solubility of amino acids in binary aqueous-organic solvent mixtures at various temperatures using the Jouyban-Acree model

Article on mathematical representation of solubility of amino acids in binary aqueous-organic solvent mixtures at various temperatures using the Jouyban-Acree model.
Date: September 1, 2006
Creator: Jouyban, Abolghasem; Khoubnasabjafari, Maryam; Chan, Hak-Kim & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library