1-Benzyl-3,5-bis(4-chlorobenzylidene)-piperidin-4-one (open access)

1-Benzyl-3,5-bis(4-chlorobenzylidene)-piperidin-4-one

The title compound, C₂₆H₂₁Cl₂NO, crystallizes with two symmetry-independent molecules in the asymmetric unit.
Date: May 16, 2011
Creator: Nesterov, Volodymyr V.; Sarkisov, Sergey S.; Shulaev, Vladimir & Nesterov, Vladimir N.
Object Type: Article
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
[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
[5,10,15,20-Tetrakis(4-tolyl)porphyrin]-zinc(II) dichloromethane solvate (open access)

[5,10,15,20-Tetrakis(4-tolyl)porphyrin]-zinc(II) dichloromethane solvate

In the title complex, [Zn(C₄₈H₃₆N₄)]·CH₂Cl₂, the Znᴵᴵ atom lies on an inversion center and the dichloromethane solvent molecule is disordered around an inversion center.
Date: May 26, 2010
Creator: McGill, Sean; Nesterov, Vladimir N. & Gould, Stephanie L.
Object Type: Article
System: The UNT Digital Library
5-Cyano-1,3-phenylene diacetate (open access)

5-Cyano-1,3-phenylene diacetate

This article discusses 5-cyano-1,3-phenylene diacetate.
Date: May 24, 2014
Creator: Abbassi, Bahar; Brumfield, Michela; Jones, Lloyd M.; Nesterov, Vladimir N. & Carr, Andrew J.
Object Type: Article
System: The UNT Digital Library
20 Mule Team (open access)

20 Mule Team

This photograph from the front cover of an issue of the Hexagon Journal displays the mock 20 mule team that stands outside of the Rio Tinto Borax Museum in Boron, California. The mule team depicts the original mode used to transport the chemical compound, borax, out of Death Valley between 1883 and 1888. A description of the photograph is shown on page 23 of the journal.
Date: Summer 2015
Creator: Marshall, James L., 1940- & Marshall, Virginia R.
Object Type: Clipping
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
Ab Initio and Kinetic Modeling Studies of Formic Acid Oxidation (open access)

Ab Initio and Kinetic Modeling Studies of Formic Acid Oxidation

Article on ab initio and kinetic modeling studies of formic acid oxidation.
Date: 2015
Creator: Marshall, Paul & Glarborg, Peter
Object Type: Article
System: The UNT Digital Library
Abraham Model Correlations for Describing Solute Transfer into 2-Butoxyethanol from Both Water and the Gas Phase at 298 K (open access)

Abraham Model Correlations for Describing Solute Transfer into 2-Butoxyethanol from Both Water and the Gas Phase at 298 K

Article on Abraham model correlations for describing solute transfer into 2-butoxyethanol from both water and the gas phase at 298 K.
Date: June 3, 2015
Creator: Sedov, Igor A.; Stolov, Mikhail; Hart, Erin; Grover, Damini; Zettl, Heidi; Koshevarova, Victoria et al.
Object Type: Article
System: The UNT Digital Library
Abraham Model Correlations for Estimating Solute Transfer of Neutral Molecules into Anhydrous Acetic Acid from Water and from the Gas Phase (open access)

Abraham Model Correlations for Estimating Solute Transfer of Neutral Molecules into Anhydrous Acetic Acid from Water and from the Gas Phase

Article on Abraham model correlations for estimating solute transfer of neutral molecules into anhydrous acetic acid from water and from the gas phase.
Date: September 1, 2015
Creator: Stovall, Dawn M.; Schmidt, Amber; Dai, Colleen; Zhang, Shoshana; Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.)
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
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
Abraham Model Correlations for Solute Transfer into 2-Ethoxyethanol from Water and from the Gas Phase (open access)

Abraham Model Correlations for Solute Transfer into 2-Ethoxyethanol from Water and from the Gas Phase

Article on Abraham model correlations for solute transfer into 2-ethoxyethanol from water and from the gas phase.
Date: August 1, 2015
Creator: Sedov, Igor A.; Stolov, Mikhail; Hart, Erin; Grover, Damini; Zettl, Heidi; Koshevarova, Victoria et al.
Object Type: Article
System: The UNT Digital Library
Abraham Model Correlations for Transfer of Neutral Molecules and Ions to Sulfolane (open access)

Abraham Model Correlations for Transfer of Neutral Molecules and Ions to Sulfolane

Article on Abraham model correlations for the transfer of neutral molecules and ions to sulfolane.
Date: October 15, 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

Abraham Model Linear Free Energy Relationships as a Means of Extending Solubility Studies to Include the Estimation of Solute Solubilities in Additional Organic Solvents

This article calculates Abraham model solute descriptors for 5-nitro-8-hydroxyquinoline, 2-methyl-6-nitroaniline, and terephthaldialdehyde using experimental solubility data taken from papers published in The Journal of Chemical Thermodynamics in 2016.
Date: July 21, 2016
Creator: Acree, William E. (William Eugene); Horton, Melissa Y.; Higgins, Elizabeth & 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
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
Activity Coefficients at Infinite Dilution for Organic Compounds Dissolved in 1-Alkyl-1-methylpyrrolidinium Bis(trifluoromethylsulfonyl)imide Ionic Liquids Having Six-, Eight-, and Ten-Carbon Alkyl Chains (open access)

Activity Coefficients at Infinite Dilution for Organic Compounds Dissolved in 1-Alkyl-1-methylpyrrolidinium Bis(trifluoromethylsulfonyl)imide Ionic Liquids Having Six-, Eight-, and Ten-Carbon Alkyl Chains

Article on activity coefficients at infinite dilution for organic compounds dissolved in 1-alkyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide ionic liquids having six-, eight-, and ten-carbon alkyl chains.
Date: October 31, 2012
Creator: Acree, William E. (William Eugene); Baker, Gary A.; Revelli, Anne-Laure; Moïse, Jean-Charles & Mutelet, Fabrice
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
Activity Coefficients at Infinite Dilution of Organic Compounds in Four New Imidazolium-Based Ionic Liquids (open access)

Activity Coefficients at Infinite Dilution of Organic Compounds in Four New Imidazolium-Based Ionic Liquids

Article on activity coefficients at infinite dilution of organic compounds in four new imidazolium-based ionic liquids.
Date: June 2, 2011
Creator: Moïse, Jean-Charles; Mutelet, Fabrice; Jaubert, Jean-Noël; Grubbs, Laura M.; Acree, William E. (William Eugene) & Baker, Gary A.
Object Type: Article
System: The UNT Digital Library
Adsorption and molecular siting of CO₂, water, and other gases in the superhydrophobic, flexible pores of FMOF-1 from experiment and simulation (open access)

Adsorption and molecular siting of CO₂, water, and other gases in the superhydrophobic, flexible pores of FMOF-1 from experiment and simulation

This article discusses the use of neutron diffraction and molecular simulations to investigate the framework expansion behaviour and the accessibility of the small pockets to N₂, O₂, and CO₂.
Date: March 9, 2017
Creator: Moghadam, Peyman Z.; Ivy, Joshua F.; Arvapally, Ravi K.; dos Santos, Antonio M.; Pearson, John C.; Zhang, Li et al.
Object Type: Article
System: The UNT Digital Library
ALKBH7 Variant Related to Prostate Cancer Exhibits Altered Substrate Binding (open access)

ALKBH7 Variant Related to Prostate Cancer Exhibits Altered Substrate Binding

This article reports a targeted search for single nucleotide polymorphisms (SNPs) and functional impact characterization of human ALKBH family dioxygenases related to prostate cancer.
Date: September 23, 2016
Creator: Walker, Alice R.; Silvestrov, Pavel; Müller, Tina A.; Podolsky, Robert H.; Dyson, Gregory; Hausinger, Robert P. et al.
Object Type: Article
System: The UNT Digital Library
Ammonia Oxidation at High Pressure and Intermediate Temperatures (open access)

Ammonia Oxidation at High Pressure and Intermediate Temperatures

This article describes ammonia oxidation experiments conducted at high pressure (30 bar and 100 bar) under oxidizing and stoichiometric conditions, respectively, and temperatures ranging from 450 to 925 K.
Date: May 10, 2016
Creator: Song, Yu; Hashemi, Hamid; Christensen, Jakob Munkholt; Zou, Chun; Marshall, Paul & Glarborg, Peter
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