Experimental Evidence for Heavy-Atom Tunneling in the Ring-Opening of Cyclopropylcarbinyl Radical from Intramolecular 12C/13C Kinetic Isotope Effects (open access)

Experimental Evidence for Heavy-Atom Tunneling in the Ring-Opening of Cyclopropylcarbinyl Radical from Intramolecular 12C/13C Kinetic Isotope Effects

Article on experimental evidence for heavy-atom tunneling in the ring-opening of cyclopropylcarbinyl radical from intramolecular 12C/13C kinetic isotope effects.
Date: August 19, 2010
Creator: Gonzalez-James, Ollie M.; Zhang, Xue; Datta, Ayan; Hrovat, David A.; Singleton, Daniel A. & Borden, Weston T.
Object Type: Article
System: The UNT Digital Library
Calculations of the Relative Energies of the 2B1g and 2A2u States of Cyclobutanetetraone Radical Cation and Radical Anion Provide Further Evidence of a 3B2u Ground State for the Neutral Molecule: A Proposed Experimental Test of the Prediction of a Triplet Ground State for (CO)4 (open access)

Calculations of the Relative Energies of the 2B1g and 2A2u States of Cyclobutanetetraone Radical Cation and Radical Anion Provide Further Evidence of a 3B2u Ground State for the Neutral Molecule: A Proposed Experimental Test of the Prediction of a Triplet Ground State for (CO)4

Article on a proposed experimental test of the prediction of a triplet ground state for (CO)4.
Date: August 18, 2009
Creator: Zhou, Xin; Hrovat, David A. & Borden, Weston T.
Object Type: Article
System: The UNT Digital Library
Group-Transfer Reactions of Nickel-Carbene and -Nitrene Complexes with Organoazides and Nitrous Oxide that Form New C=N, C=O, and N=N Bonds (open access)

Group-Transfer Reactions of Nickel-Carbene and -Nitrene Complexes with Organoazides and Nitrous Oxide that Form New C=N, C=O, and N=N Bonds

This article discusses group-transfer reactions of nickel-carbene and -nitrene complexes with organoazides and nitrous oxide that form new C=N, C=O, and N=N bonds.
Date: August 19, 2009
Creator: Harrold, Nicole D.; Waterman, Rory; Hillhouse, Gregory L. & Cundari, Thomas R., 1964-
Object Type: Article
System: The UNT Digital Library
Inter- and Intramolecular Experimental and Calculated Equilibrium Isotope Effects for (silox)₂(ᵗBu₃SiND)TiR + RH (silox = ᵗBu₃SiO): Inferred Kinetic Isotope Effects for RH/D Addition to Transient (silox)₂Ti=NSiᵗBu₃ (open access)

Inter- and Intramolecular Experimental and Calculated Equilibrium Isotope Effects for (silox)₂(ᵗBu₃SiND)TiR + RH (silox = ᵗBu₃SiO): Inferred Kinetic Isotope Effects for RH/D Addition to Transient (silox)₂Ti=NSiᵗBu₃

This article discusses inter- and intramolecular experimental and calculated equilibrium isotope effects.
Date: August 23, 2000
Creator: Slaughter, LeGrande M.; Wolczanski, Peter T.; Klinckman, Thomas R. & Cundari, Thomas R., 1964-
Object Type: Article
System: The UNT Digital Library
Stepwise Reduction of Dinitrogen Bond Order by a Low-Coordinate Iron Complex (open access)

Stepwise Reduction of Dinitrogen Bond Order by a Low-Coordinate Iron Complex

This article discusses stepwise reduction of dinitrogen bond order by a low-coordinate iron complex.
Date: August 24, 2001
Creator: Smith, Jeremy M.; Lachicotte, Rene J.; Pittard, Karl A.; Cundari, Thomas R., 1964-; Lukat-Rodgers, Gudrun; Rodgers, Kenton R. et al.
Object Type: Article
System: The UNT Digital Library
Reductive Elimination of Alkylamines from Low-Valent, Alkylpalladium(II) Amido Complexes (open access)

Reductive Elimination of Alkylamines from Low-Valent, Alkylpalladium(II) Amido Complexes

This article discusses reductive elimination of alkylamines from low-valent, alkylpalladium(II) amido complexes.
Date: August 30, 2012
Creator: Hanley, Patrick S.; Marquard, Seth L.; Cundari, Thomas R., 1964- & Hartwig, John F.
Object Type: Article
System: The UNT Digital Library
[Review] Deciphering the Chemical Code: Bonding Across the Periodic Table (open access)

[Review] Deciphering the Chemical Code: Bonding Across the Periodic Table

This article reviews the book "Deciphering the Chemical Code: Bonding Across the Periodic Table," by Nicolaos D. Epiotis.
Date: August 20, 1997
Creator: Cundari, Thomas R., 1964-
Object Type: Review
System: The UNT Digital Library
Theoretical Estimation of Vibrational Frequencies Involving Transition Metal Compounds (open access)

Theoretical Estimation of Vibrational Frequencies Involving Transition Metal Compounds

This article discusses the theoretical estimation of vibrational frequencies involving transition metal compounds.
Date: August 7, 1997
Creator: Cundari, Thomas R., 1964- & Raby, Philip D.
Object Type: Article
System: The UNT Digital Library
Cation-specific and anion-specific Abraham model correlations for solute transfer into ionic liquid solvents (open access)

Cation-specific and anion-specific Abraham model correlations for solute transfer into ionic liquid solvents

Article discussing research on cation-specific and anion-specific Abraham model correlations for solute transfer into ionic liquid solvents.
Date: August 2010
Creator: Grubbs, Laura M.; Saifullah, Mariam; De la Rosa, Nohelli E.; Acree, William E. (William Eugene); Abraham, M. H. (Michael H.); Zhao, Qichao et al.
Object Type: Article
System: The UNT Digital Library
Correlation of solute transfer into alkane solvents from water and from the gas phase with updated Abraham model equations (open access)

Correlation of solute transfer into alkane solvents from water and from the gas phase with updated Abraham model equations

This article discusses the correlation of solute transfer into alkane solvents from water and from the gas phase with updated Abraham model equations.
Date: August 25, 2011
Creator: Stephens, Timothy W.; Quay, Amanda N.; Chou, Vicky; Loera, Matthew; Shen, Connie; Wilson, Anastasia et al.
Object Type: Article
System: The UNT Digital Library
Correlation and prediction of partition coefficient between the gas phase and water, and the solvents dry methyl acetate, dry and wet ethyl acetate, and dry and wet butyl acetate (open access)

Correlation and prediction of partition coefficient between the gas phase and water, and the solvents dry methyl acetate, dry and wet ethyl acetate, and dry and wet butyl acetate

Article discussing research on the correlation and prediction of partition coefficient between the gas phase and water, and the solvents dry methyl acetate, dry and wet ethyl acetate, and dry and wet butyl acetate.
Date: August 25, 2008
Creator: Sprunger, Laura M.; Proctor, Amy; Acree, William E. (William Eugene); Abraham, M. H. (Michael H.) & Benjellou-Dakhama, Nora
Object Type: Article
System: The UNT Digital Library
Enthalpy of Solvation Correlations for Organic Solutes and Gases Dissolved in 2-Propanol, 2-Butanol, 2-Methyl-1-Propanol and Ethanol (open access)

Enthalpy of Solvation Correlations for Organic Solutes and Gases Dissolved in 2-Propanol, 2-Butanol, 2-Methyl-1-Propanol and Ethanol

This article discusses the enthalpy of solvation correlations for organic solutes and gases dissolved in 2-propanol, 2-butanol, 2-methyl-1-propanol and ethanol.
Date: August 20, 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
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.)
Object Type: Article
System: The UNT Digital Library
Prediction of Partition Coefficients of Organic Compounds in Ionic Liquids Using a Temperature-Dependent Linear Solvation Energy Relationship with Parameters Calculated through a Group Contribution Method (open access)

Prediction of Partition Coefficients of Organic Compounds in Ionic Liquids Using a Temperature-Dependent Linear Solvation Energy Relationship with Parameters Calculated through a Group Contribution Method

This article discusses the prediction of partition coefficients of organic compounds in ionic liquids.
Date: August 22, 2011
Creator: Mutelet, Fabrice; Ortega-Villa, Virginia; Moïse, Jean-Charles; Jaubert, Jean-Noël & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Partition Coefficients of Organic Compounds in Four New Tetraalkylammonium Bis(trifluoromethylsulfonyl)imide Ionic Liquids Using Inverse Gas Chromatography (open access)

Partition Coefficients of Organic Compounds in Four New Tetraalkylammonium Bis(trifluoromethylsulfonyl)imide Ionic Liquids Using Inverse Gas Chromatography

This article discusses partition coefficients of organic compounds in four new tetraalkylammonium bis(trifluoromethylsulfonyl)imide ionic liquids using inverse gas chromatography.
Date: August 18, 2011
Creator: Acree, William E. (William Eugene); Baker, Gary A.; Mutelet, Fabrice & Moïse, Jean-Charles
Object Type: Article
System: The UNT Digital Library
Solubility of Anthracene in C1-C3 Alcohols from (298.2 to 333.2) K and Their Mixtures with 2-Propanone at 298.2 K (open access)

Solubility of Anthracene in C1-C3 Alcohols from (298.2 to 333.2) K and Their Mixtures with 2-Propanone at 298.2 K

Article discussing the solubility of anthracene in C1-C3 alcohols from (298.2 to 333.2) K and their mixtures with 2-propanone at 298.2 K.
Date: August 25, 2010
Creator: Jouyban, Abolghasem; Manzoori, Jamshid L.; Soleymani, Jafar; Panahi-Azar, Vahid; Fakhree, Mohammad Amin Abolghassemi; Ahmadian, Somaieh et al.
Object Type: Article
System: The UNT Digital Library
ASPARTATE 458 of Human Glutathione Synthetase is Important for Cooperativity and Active Site Structure (open access)

ASPARTATE 458 of Human Glutathione Synthetase is Important for Cooperativity and Active Site Structure

Article discussing ASPARTATE 458 of human glutathione synthetase.
Date: August 5, 2011
Creator: Brown, Teresa R.; Drummond, Michael L.; Barelier, Sarah; Crutchfield, Amanda S.; Dinescu, Adriana; Slavens, Kerri D. et al.
Object Type: Article
System: The UNT Digital Library
Electronic and Transport Properties of Artificial Gold Chains (open access)

Electronic and Transport Properties of Artificial Gold Chains

Article on electronic and transport properties of artificial gold chains.
Date: August 27, 2004
Creator: Calzolari, Arrigo; Cavazzoni, Carlo & Buongiorno Nardelli, Marco
Object Type: Article
System: The UNT Digital Library
Band Structure and Quantum Conductance of Nanostructures from Maximally Localized Wannier Functions: The Case of Functionalized Carbon Nanotubes (open access)

Band Structure and Quantum Conductance of Nanostructures from Maximally Localized Wannier Functions: The Case of Functionalized Carbon Nanotubes

Article on band structure and quantum conductance of nanostructures from maximally localized Wannier functions.
Date: August 12, 2005
Creator: Lee, Young-Su; Buongiorno Nardelli, Marco & Marzari, Nicola
Object Type: Article
System: The UNT Digital Library
Phonon Softening and High-Pressure Low-Symmetry Phases of Cesium Iodide (open access)

Phonon Softening and High-Pressure Low-Symmetry Phases of Cesium Iodide

Article on phonon softening and high-pressure low-symmetry phases of cesium iodide.
Date: August 17, 1992
Creator: Buongiorno Nardelli, Marco; Baroni, Stefano & Giannozzi, Paolo
Object Type: Article
System: The UNT Digital Library
Predicting Solubility of Anthracene in Non-aqueous Solvent Mixtures Using a Combination of Jouyban-Acree and Abraham Models (open access)

Predicting Solubility of Anthracene in Non-aqueous Solvent Mixtures Using a Combination of Jouyban-Acree and Abraham Models

Article on predicting the solubility of anthracene in non-aqueous solvent mixtures using a combination of Jouyban-Acree and Abraham models.
Date: August 1, 2006
Creator: Jouyban, Abolghasem; Khoubnasabjafari, Maryam & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Effect of Solvent Polarity on the Fluorescence Emission Spectra of Select Five- and Six-Ring Pyrene Derivatives (open access)

Effect of Solvent Polarity on the Fluorescence Emission Spectra of Select Five- and Six-Ring Pyrene Derivatives

Article on the effect of solvent polarity on the fluorescence emission spectra of select five- and six-ring pyrene derivatives.
Date: August 1, 1990
Creator: Acree, William E. (William Eugene); Zvaigzne, Anita I. & Fetzer, John C.
Object Type: Article
System: The UNT Digital Library
Effect of Solvent Polarity and Acidity on Fluorescence Emission Fine Structures of Select Aza-Polynuclear Aromatics and Dibenzo[b,n]perylene Hetero-Atom Derivatives (open access)

Effect of Solvent Polarity and Acidity on Fluorescence Emission Fine Structures of Select Aza-Polynuclear Aromatics and Dibenzo[b,n]perylene Hetero-Atom Derivatives

Article on the effect of solvent polarity and acidity on fluorescence emission fine structures of select aza-polynuclear aromatics and dibenzo[b,n]perylene hetero-atom derivatives.
Date: August 1, 1991
Creator: Tucker, Sheryl A. (Sheryl Ann); Acree, William E. (William Eugene); Tanga, Mary J.; Fetzer, John Charles, 1953-; Tokita, Sumio; Hiruta, Kimihiro et al.
Object Type: Article
System: The UNT Digital Library
Linear Free Energy Relationship Correlations for Enthalpies of Solvation of Organic Solutes into Room-Temperature Ionic Liquids Based on the Abraham Model with Ion-Specific Equation Coefficients (open access)

Linear Free Energy Relationship Correlations for Enthalpies of Solvation of Organic Solutes into Room-Temperature Ionic Liquids Based on the Abraham Model with Ion-Specific Equation Coefficients

Article discussing the linear free energy relationship correlations for enthalpies of solvation of organic solutes into room-temperature ionic liquids based on the Abraham model with ion-specific equation coefficients.
Date: August 3, 2009
Creator: Sprunger, Laura M.; Achi, Sai S.; Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.)
Object Type: Article
System: The UNT Digital Library