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[5,10,15,20-Tetrakis (4-methoxyphenyl)-porphyrinato] zinc dichloromethane disolvate (open access)

[5,10,15,20-Tetrakis (4-methoxyphenyl)-porphyrinato] zinc dichloromethane disolvate

Article on 5,10,15,20-tetrakis(4-methoxyphenyl)-porphyrinato] zinc dichloromethane disolvate.
Date: July 24, 2013
Creator: McGill, Sean; Nesterov, Vladimir N. & Gould, Stephanie L.
Object Type: Article
System: The UNT Digital Library
Abraham model correlations for predicting gas-to-liquid partition coefficients and activity coefficients of organic solutes dissolved in 1-(2-methoxyethyl)-1-methylpyrrolidinium tris(pentafluoroethyl) trifluorophosphate (open access)

Abraham model correlations for predicting gas-to-liquid partition coefficients and activity coefficients of organic solutes dissolved in 1-(2-methoxyethyl)-1-methylpyrrolidinium tris(pentafluoroethyl) trifluorophosphate

Article on Abraham model correlations for predicting gas-to-liquid partition coefficients and activity coefficients of organic solutes.
Date: 2013
Creator: Jiang, Rui; Anderson, Jared L.; Stephens, Timothy W.; Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.)
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 (open access)

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
Activity Coefficients at Infinite Dilution for Organic Solutes Dissolved in Three 1-Alkyl-1-methylpyrrolidinium Bis(trifluoromethylsulfonyl)imide Ionic Liquids Bearing Short Linear Alkyl Side Chains of Three to Five Carbons (open access)

Activity Coefficients at Infinite Dilution for Organic Solutes Dissolved in Three 1-Alkyl-1-methylpyrrolidinium Bis(trifluoromethylsulfonyl)imide Ionic Liquids Bearing Short Linear Alkyl Side Chains of Three to Five Carbons

Article discussing activity coefficients at infinite dilution for organic solutes dissolved in three 1-alkyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide ionic liquids bearing short linear alkyl side chains of three to five carbons.
Date: July 30, 2013
Creator: Mutelet, Fabrice; Hassan, El-Sayed R. E.; Stephens, Timothy W.; Acree, William E. (William Eugene) & Baker, Gary A.
Object Type: Article
System: The UNT Digital Library
Analysis of immobilized artificial membrane retention factors for both neutral and ionic species (open access)

Analysis of immobilized artificial membrane retention factors for both neutral and ionic species

Article on the analysis of immobilized artificial membrane retention factors for both neutral and ionic species.
Date: May 10, 2013
Creator: Abraham, M. H. (Michael H.); Acree, William E. (William Eugene); Fahr, Alfred & Liu, Xiangli
Object Type: Article
System: The UNT Digital Library
The Antropoff Periodic Table found at UC Berkeley (open access)

The Antropoff Periodic Table found at UC Berkeley

Article discussing the Andreas von Antropoff Periodic Table found at the University of California at Berkeley.
Date: Autumn 2013
Creator: Marshall, James L., 1940- & Marshall, Virginia R.
Object Type: Article
System: The UNT Digital Library
Bioinspired Hydrogenase Models: The Mixed-Valence Triiron Complex [Fe₃(CO)₇(μ-edt)₂] and Phosphine Derivatives [Fe₃(CO)₇−ₓ(PPh₃)ₓ(μ-edt)₂] (x = 1, 2) and [Fe₃(CO)₅(κ²‑diphosphine)(μ- edt)₂] as Proton Reduction Catalysts (open access)

Bioinspired Hydrogenase Models: The Mixed-Valence Triiron Complex [Fe₃(CO)₇(μ-edt)₂] and Phosphine Derivatives [Fe₃(CO)₇−ₓ(PPh₃)ₓ(μ-edt)₂] (x = 1, 2) and [Fe₃(CO)₅(κ²‑diphosphine)(μ- edt)₂] as Proton Reduction Catalysts

This article describes the preparation and structural characterization of the mixed-valence triiron complexes.
Date: July 15, 2013
Creator: Rahaman, Ahibur; Ghosh, Shishir; Unwin, David G.; Basak-Modi, Sucharita; Holt, Katherine B.; Kabir, Shariff E. et al.
Object Type: Article
System: The UNT Digital Library

Comments Regarding "Density, Speed of Sound, Refractive Index and Derivatives Properties of the Binary Mixture N-Hexane + N-Heptane (or N-Octane or N-Nonane), T = 288.15 - 313.15 K"

This article offers comment on "Density, speed of sound, refractive index and derivatives properties of the binary mixture N-Hexane + N-Heptane (or N-Octane or N-Nonane), T=288.15 - 313.15 K."
Date: April 9, 2013
Creator: Acree, William E. (William Eugene) & Stephens, Timothy W.
Object Type: Article
System: The UNT Digital Library
Comments Regarding "Study of Molecular Interactions in Binary Mixtures of Formamide with 2-Methoxyethanol and 2-Ethoxyethanol at Varying Temperatures" (open access)

Comments Regarding "Study of Molecular Interactions in Binary Mixtures of Formamide with 2-Methoxyethanol and 2-Ethoxyethanol at Varying Temperatures"

This article provides comments on "Study of Molecular Interactions in Binary Mixtures of Formamide with 2-Methoxyethanol and 2-Ethoxyethanol at Varying Temperatures," published in 'Physics and Chemistry of Liquids,' 2013.
Date: June 3, 2013
Creator: Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Cooperative Carbon Capture Capabilities in Multivariate MOFs Decorated with Amino Acid Side Chains: A Computational Study (open access)

Cooperative Carbon Capture Capabilities in Multivariate MOFs Decorated with Amino Acid Side Chains: A Computational Study

This article discusses cooperative carbon capture capabilities in metal organic frameworks decorated with amino acid side chains.
Date: June 5, 2013
Creator: Drummond, Michael L.; Cundari, Thomas R., 1964- & Wilson, Angela K.
Object Type: Article
System: The UNT Digital Library
Correlation of the Solubilizing Abilities of 1-Butyl-1-methyl-pyrrolidinium Tris(pentafluoroethyl)-trifluorophosphate, 1-Butyl-1-methylpyrrolidinium Triflate and 1-Methoxyethyl-1-methylmorpholinium Tris(pentafluoroethyl) trifluorophosphate (open access)

Correlation of the Solubilizing Abilities of 1-Butyl-1-methyl-pyrrolidinium Tris(pentafluoroethyl)-trifluorophosphate, 1-Butyl-1-methylpyrrolidinium Triflate and 1-Methoxyethyl-1-methylmorpholinium Tris(pentafluoroethyl) trifluorophosphate

This article discusses the correlation of the solubilizing abilities.
Date: May 2013
Creator: Twu, Pamela; Anderson, Jared L.; Stephens, Timothy W.; Wilson, Anastasia; Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.)
Object Type: Article
System: The UNT Digital Library
Correlations of solute partitioning and enthalpies of solvation for organic solutes in ionic liquids using a temperature independent free energy relationship (open access)

Correlations of solute partitioning and enthalpies of solvation for organic solutes in ionic liquids using a temperature independent free energy relationship

This article discusses correlations of solute partitioning and enthalpies of solvation for organic solutes in ionic liquids using a temperature independent free energy relationship.
Date: 2013
Creator: Stephens, Timothy W.; Willis, Bria; Dabadge, Nishu; Tian, Amy; Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.)
Object Type: Article
System: The UNT Digital Library
Descriptors for Artemisinin and its Derivatives; Estimation of Physicochemical and Biochemical Data (open access)

Descriptors for Artemisinin and its Derivatives; Estimation of Physicochemical and Biochemical Data

Article on descriptors for artemisinin and its derivatives and an estimation of physiochemical and biochemical data.
Date: January 2013
Creator: Abraham, M. H. (Michael H.) & Acree, William E. (William Eugene)
Object Type: Article
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
Determination of the Solubilizing Character of 1-(2-Hydroxyethyl)-1-Methylimidazolium Tris(Pentafluoroethyl)Trifluorophosphate Based on the Abraham Solvation Parameter Model (open access)

Determination of the Solubilizing Character of 1-(2-Hydroxyethyl)-1-Methylimidazolium Tris(Pentafluoroethyl)Trifluorophosphate Based on the Abraham Solvation Parameter Model

Article discussing the solubilizing character of 1-(2-hydroxyethyl)-1-methylimidazolium tris(pentafluoroethyl)trifluorophosphate based on the Abraham solvation parameter model.
Date: 2013
Creator: Twu, Pamela; Anderson, Jared L.; Stephens, Timothy W.; Lu, Helen; Satish, Kalpana; Shan, Danyang et al.
Object Type: Article
System: The UNT Digital Library
Dielectric properties and Raman spectra of ZnO from a first principles finite-differences/finite-fields approach (open access)

Dielectric properties and Raman spectra of ZnO from a first principles finite-differences/finite-fields approach

Article on dielectric properties and Raman spectra of ZnO from a first principles finite-differences/finite-fields approach.
Date: August 5, 2013
Creator: Calzolari, Arrigo & Buongiorno Nardelli, Marco
Object Type: Article
System: The UNT Digital Library
Electrodeposition of Oriented Cerium Oxide Films (open access)

Electrodeposition of Oriented Cerium Oxide Films

This article discusses the process of depositing CeO₂ with a preferred crystalline orientation.
Date: September 13, 2013
Creator: Wang, Adele Qi & Golden, Teresa
Object Type: Article
System: The UNT Digital Library
Experimental and Kinetic Modeling Study of Methanol Ignition and Oxidation at High Pressure (open access)

Experimental and Kinetic Modeling Study of Methanol Ignition and Oxidation at High Pressure

Article on an experimental and kinetic modeling study of methanol ignition and oxidation at high pressure.
Date: May 1, 2013
Creator: Aranda, V.; Christensen, J. M.; Alzueta, María U.; Glarborg, Peter; Gersen, S.; Gao, Yide et al.
Object Type: Article
System: The UNT Digital Library
Experimental and Predicted Solubilities of 3,4-Dimethoxybenzoic Acid in Select Organic Solvents of Varying Polarity and Hydrogen-bonding Character (open access)

Experimental and Predicted Solubilities of 3,4-Dimethoxybenzoic Acid in Select Organic Solvents of Varying Polarity and Hydrogen-bonding Character

This article discusses the experimental and predicted solubilities of 3,4-dimethoxybenzoic acid in select organic solvents of varying polarity and hydrogen-bonding character.
Date: April 17, 2013
Creator: Bowen, Kaci R.; Stephens, Timothy W.; Lu, Helen; Satish, Kalpana; Shan, Danyang; Acree, William E. (William Eugene) et al.
Object Type: Article
System: The UNT Digital Library
Fluorinated Metal-Organic Frameworks for Gas Storage (open access)

Fluorinated Metal-Organic Frameworks for Gas Storage

Patent relating to fluorinated metal-organic frameworks for gas storage.
Date: September 12, 2008
Creator: Omary, Mohammad A. & Yang, Chi
Object Type: Patent
System: The UNT Digital Library
Fluorinated Metal-Organic Frameworks for Gas Storage (open access)

Fluorinated Metal-Organic Frameworks for Gas Storage

Patent relating to fluorinated metal-organic frameworks for gas storage.
Date: September 12, 2008
Creator: Omary, Mohammad A. & Yang, Chi
Object Type: Patent
System: The UNT Digital Library
Gas Phase Kinetics and Equilibrium of Allyl Radical Reactions with NO and NO₂ (open access)

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
A group contribution model for determining the sublimation enthalpy of organic compounds at the standard reference temperature of 298 K (open access)

A group contribution model for determining the sublimation enthalpy of organic compounds at the standard reference temperature of 298 K

Article discussing a group contribution model for determining the sublimation enthalpy of organic compounds at the standard reference temperature of 298 K.
Date: June 21, 2013
Creator: Gharagheizi, Farhad; Ilani-Kashkouli, Poorandokht; Acree, William E. (William Eugene); Mohammadi, Amir H. & Ramjugernath, Deresh
Object Type: Article
System: The UNT Digital Library
A Group Contribution Model for Determining the Vaporization Enthalpy of Organic Compounds at the Standard Reference Temperature of 298 K (open access)

A Group Contribution Model for Determining the Vaporization Enthalpy of Organic Compounds at the Standard Reference Temperature of 298 K

Article on a group contribution model for determining the vaporization enthalpy of organic compounds at the standard reference temperature of 298 K.
Date: November 9, 2013
Creator: Gharagheizi, Farhad; Ilani-Kashkouli, Poorandokht; Acree, William E. (William Eugene); Mohammadi, Amir H. & Ramjugernath, Deresh
Object Type: Article
System: The UNT Digital Library