Prediction of drug solubility in ethanol-ethyl acetate mixtures at various temperatures using the Jouyban-Acree model (open access)

Prediction of drug solubility in ethanol-ethyl acetate mixtures at various temperatures using the Jouyban-Acree model

Article on the prediction of drug solubility in ethanol-ethyl acetate mixtures at various temperatures using the Jouyban-Acree model.
Date: December 26, 2007
Creator: Jouyban, Abolghasem & Acree, William E. (William Eugene)
System: The UNT Digital Library
Rediscovery of the Elements: Jöns Jakob Berzelius (open access)

Rediscovery of the Elements: Jöns Jakob Berzelius

Article describing the life and career of Jöns Jakob Berzelius. Tourist information regarding locations significant to his history is included.
Date: Winter 2007
Creator: Marshall, James L., 1940- & Marshall, Virginia R.
System: The UNT Digital Library
Enthalpy of Solvation Correlations for Gaseous Solutes Dissolved in Water and in 1-Octanol Based on the Abraham Model (open access)

Enthalpy of Solvation Correlations for Gaseous Solutes Dissolved in Water and in 1-Octanol Based on the Abraham Model

Article on the enthalpy of solvation correlations for gaseous solutes dissolved in water and in 1-octanol based on the Abraham model.
Date: December 15, 2007
Creator: Mintz, Christina; Clark, Michael; Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.)
System: The UNT Digital Library
Combined Experimental and Computational Studies on the Nature of Aromatic C-H Activation by Octahedral Ruthenium(II) Complexes: Evidence for σ-Bond Metathesis from Hammett Studies (open access)

Combined Experimental and Computational Studies on the Nature of Aromatic C-H Activation by Octahedral Ruthenium(II) Complexes: Evidence for σ-Bond Metathesis from Hammett Studies

Article discussing combined experimental and computational studies on the nature of aromatic C-H activation by octahedral ruthenium(II) complexes of the type TpRu(L)(NCMe)R [Tp = hydridotris(pyrazolyl)borate; R = alkyl or aryl; L = CO or PMe3].
Date: November 27, 2007
Creator: DeYonker, Nathan J.; Foley, Nicholas A.; Cundari, Thomas R., 1964-; Gunnoe, T. Brent & Petersen, Jeffrey L.
System: The UNT Digital Library
Characterization of the sorption of gaseous and organic solutes onto polydimethyl siloxane solid-phase microextraction surfaces using the Abraham model (open access)

Characterization of the sorption of gaseous and organic solutes onto polydimethyl siloxane solid-phase microextraction surfaces using the Abraham model

Article on the characterization of the sorption of gaseous and organic solutes onto polydimethyl siloxane solid-phase microextraction surfaces using the Abraham model.
Date: October 25, 2007
Creator: Sprunger, Laura M.; Proctor, Amy; Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.)
System: The UNT Digital Library
Performance of the correlation consistent composite approach for transition states: A comparison to G3B theory (open access)

Performance of the correlation consistent composite approach for transition states: A comparison to G3B theory

This article discusses performance of the correlation consistent composite approach for transition states.
Date: October 19, 2007
Creator: Grimes, Thomas V.; Wilson, Angela K.; DeYonker, Nathan J. & Cundari, Thomas R., 1964-
System: The UNT Digital Library
Activation of Carbon-Hydrogen Bonds via 1,2-Addition across M-X (X = OH or NH2) Bonds of d6 Transition Metals as a Potential Key Step in Hydrocarbon Functionalization: A Computational Study (open access)

Activation of Carbon-Hydrogen Bonds via 1,2-Addition across M-X (X = OH or NH2) Bonds of d6 Transition Metals as a Potential Key Step in Hydrocarbon Functionalization: A Computational Study

Article discussing a computational study on the activation of carbon-hydrogen bonds via 1,2-addition across M-X (X = OH or NH2) bonds of d6 transition metals as a potential key step in hydrocarbon functionalization.
Date: October 6, 2007
Creator: Cundari, Thomas R., 1964-; Grimes, Thomas V. & Gunnoe, T. Brent
System: The UNT Digital Library
Combined Experimental and Computational Study of TpRu{P(pyr)3} (NCMe)Me (pyr = N-pyrrolyl): Inter- and Intramolecular Activation of C-H Bonds and the Impact of Sterics on Catalytic Hydroarylation of Olefins (open access)

Combined Experimental and Computational Study of TpRu{P(pyr)3} (NCMe)Me (pyr = N-pyrrolyl): Inter- and Intramolecular Activation of C-H Bonds and the Impact of Sterics on Catalytic Hydroarylation of Olefins

This article discusses a combined experimental and computational study of TpRu{P(pyr)3} (NCMe)Me (pyr = N-pyrrolyl).
Date: October 4, 2007
Creator: Foley, Nicholas A.; Lail, Marty; Gunnoe, T. Brent; Cundari, Thomas R., 1964-; Boyle, Paul D. & Petersen, Jeffrey L.
System: The UNT Digital Library
Computational s-Block Thermochemistry with the Correlation Consistent Composite Approach (open access)

Computational s-Block Thermochemistry with the Correlation Consistent Composite Approach

Article discussing research on computational s-block thermochemistry with the correlation consistent composite approach, which has been shown to accurately compute gas-phase enthalapies of formation for alkali and alkaline earth metal oxides and hydroxides.
Date: October 3, 2007
Creator: DeYonker, Nathan J.; Ho, Dustin S.; Wilson, Angela K. & Cundari, Thomas R., 1964-
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
System: The UNT Digital Library
Rediscovery of the Elements: Johann Wolfgang Döbereiner (open access)

Rediscovery of the Elements: Johann Wolfgang Döbereiner

Article describing the life of Johann Wolfgang Döbereiner and his attempts to systematically organize the elements. Tourist information regarding locations significant to his history is included.
Date: Autumn 2007
Creator: Marshall, James L., 1940- & Marshall, Virginia R.
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.)
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
System: The UNT Digital Library
Comment on "Systematic Investigation of the Sorption Properties of Polyurethane Foams for Organic Vapors" (open access)

Comment on "Systematic Investigation of the Sorption Properties of Polyurethane Foams for Organic Vapors"

This article gives a comment to a previous article entitled "Systematic investigation of the sorption properties of polyurethane foams for organic vapors."
Date: August 4, 2007
Creator: Sprunger, Laura M.; Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.)
System: The UNT Digital Library
Linear Free Energy Relationship Correlation of the Distribution of Solutes between Water and Sodium Dodecyl Sulfate (SDS) Micelles and between Gas and SDS Micelles (open access)

Linear Free Energy Relationship Correlation of the Distribution of Solutes between Water and Sodium Dodecyl Sulfate (SDS) Micelles and between Gas and SDS Micelles

This article discusses linear free energy relationship correlation of the distribution of solutes between water and sodium dodecyl sulfate (SDS) micelles and between gas and SDS micelles.
Date: July 27, 2007
Creator: Sprunger, Laura M.; Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.)
System: The UNT Digital Library
Phase Equilibria in High Energy Density PVDF-Based Polymers (open access)

Phase Equilibria in High Energy Density PVDF-Based Polymers

Article on phase equilibria in high energy density PVDF-based polymers.
Date: July 27, 2007
Creator: Ranjan, Vivek; Yu, Liping; Buongiorno Nardelli, Marco & Bernholc, Jerry
System: The UNT Digital Library
Enthalpy of Solvation Correlations for Gaseous Solutes Dissolved in Dimethyl Sulfoxide and Propylene Carbonate Based on the Abraham Model (open access)

Enthalpy of Solvation Correlations for Gaseous Solutes Dissolved in Dimethyl Sulfoxide and Propylene Carbonate Based on the Abraham Model

This article discusses enthalpy of solvation correlations for gaseous solutes dissolved in dimethyl sulfoxide and propylene carbonate based on the Abraham model.
Date: July 2007
Creator: Mintz, Christina; Acree, William E. (William Eugene); Burton, Katherine & Abraham, M. H. (Michael H.)
System: The UNT Digital Library
Rediscovery of the Elements: The Periodic Table (open access)

Rediscovery of the Elements: The Periodic Table

Article recounting the history of the development of the Periodic Table. Sites pertinent to this development were visited by the authors, who provide related tourist information.
Date: Summer 2007
Creator: Marshall, James L., 1940- & Marshall, Virginia R.
System: The UNT Digital Library
Quantitative Computational Thermochemistry of Transition Metal Species (open access)

Quantitative Computational Thermochemistry of Transition Metal Species

This article discusses quantitative computational thermochemistry of transition metal species. The correlation consistent Composite Approach (ccCA), which has been shown to achieve chemical accuracy (±1 kcal mol⁻¹) for a large benchmark set of main group and s-block metal compounds, is used to compute enthalpies of formation for a set of 17 3d transition metal species.
Date: May 15, 2007
Creator: DeYonker, Nathan J.; Peterson, Kirk A.; Steyl, Gideon; Wilson, Angela K. & Cundari, Thomas R., 1964-
System: The UNT Digital Library
Comparative Reactivity of TpRu(L)(NCMe)Ph (L = CO or PMe3): Impact of Ancillary Ligand L on Activation of Carbon-Hydrogen Bonds Including Catalytic Hydroarylation and Hydrovinylation/Oligomerization of Ethylene (open access)

Comparative Reactivity of TpRu(L)(NCMe)Ph (L = CO or PMe3): Impact of Ancillary Ligand L on Activation of Carbon-Hydrogen Bonds Including Catalytic Hydroarylation and Hydrovinylation/Oligomerization of Ethylene

Article discussing research on the comparative reactivity of TpRu(L)(NCMe)Ph (L = CO or PMe3) and the impact of ancillary ligand L on activation of carbon-hydrogen bonds including catalytic hydroarylation and hyrdovinylation/oligomerization of ethylene.
Date: May 9, 2007
Creator: Foley, Nicholas A.; Lail, Marty; Lee, John P.; Gunnoe, T. Brent; Cundari, Thomas R., 1964- & Petersen, Jeffrey L.
System: The UNT Digital Library
Characterization of Room-Temperature Ionic Liquids by the Abraham Model with Cation-Specific and Anion-Specific Equation Coefficients (open access)

Characterization of Room-Temperature Ionic Liquids by the Abraham Model with Cation-Specific and Anion-Specific Equation Coefficients

Article on the characterization of room-temperature ionic liquids by the Abraham model with cation-specific and anion-specific equation coefficients.
Date: April 26, 2007
Creator: Sprunger, Laura M.; Clark, Michael; Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.)
System: The UNT Digital Library
Rediscovery of the Elements: The Road to Karlsruhe (open access)

Rediscovery of the Elements: The Road to Karlsruhe

Article describing the history of atomic weight and the events leading up to the Karlsruhe Congress of chemists. The authors visited several sites pertinent to these events and offer tourist information.
Date: Spring 2007
Creator: Marshall, James L., 1940- & Marshall, Virginia R.
System: The UNT Digital Library
Reactions of SO₃ with the O/H Radical Pool under Combustion Conditions (open access)

Reactions of SO₃ with the O/H Radical Pool under Combustion Conditions

Article on reactions of SO₃ with the O/H radical pool under combustion conditions.
Date: March 9, 2007
Creator: Hindiyarti, Lusi; Glarborg, Peter & Marshall, Paul
System: The UNT Digital Library
Solubility of Anthracene in Binary Diisopropyl Ether + Alcohol Solvent Mixtures at 298.15 K (open access)

Solubility of Anthracene in Binary Diisopropyl Ether + Alcohol Solvent Mixtures at 298.15 K

Article on the solubility of anthracene in binary diisopropyl ether + alcohol solvent mixtures at 298.15 K.
Date: February 23, 2007
Creator: Corella, Monica; Wolcott, Kimberle; Carrillo, Miranda & Acree, William E. (William Eugene)
System: The UNT Digital Library