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Erratum: First-Principles Theory of Correlated Transport through Nanojunctions [Phys. Rev. Lett. 94, 116802 (2005)]
This article provides the correction of an equation that was misprinted in Physical Review Letters 94, 116802 (2005).
Date:
May 6, 2005
Creator:
Ferretti, A.; Calzolari, Arrigo; Di Felice, Rosa; Manghi, Franca; Caldas, Marilia J.; Buongiorno Nardelli, Marco et al.
Object Type:
Article
System:
The UNT Digital Library
Pseudopotential-Based Correlation Consistent Composite Approach (rp-ccCA) for First- and Second-Row Transition Metal Thermochemistry
This article uses the relativistic-pseudopotential correlation consistent approach (rp-ccCA) to determine the enthalpy of formation of 24 first row (3d) transition metal compounds.
Date:
May 22, 2015
Creator:
Manivasagam, Sindhu; Laury, Marie L. & Wilson, Angela K.
Object Type:
Article
System:
The UNT Digital Library
Ligand-field effects for the 3p photoelectron spectra of Cr2O3
This article discusses ligand-field effects for the 3p photoelectron spectra of Cr2O3.
Date:
May 28, 2004
Creator:
Bagus, Paul S.; Ilton, Eugene S. & Rustad, James R.
Object Type:
Article
System:
The UNT Digital Library
Many-body effects in the 4f x-ray photoelectron spectroscopy of the U5+ and U4+ free ions
This article discusses many-body effects in the 4f x-ray photoelectron spectroscopy of the U5+ and U4+ free ions.
Date:
May 31, 2005
Creator:
Ilton, Eugene S. & Bagus, Paul S.
Object Type:
Article
System:
The UNT Digital Library
Investigation of the Gas-Phase Kinetics of the Reaction K + SO₂ + Ar
Article on an investigation of the gas-phase kinetics of the reaction K + SO₂ + Ar.
Date:
May 1993
Creator:
Goumri, Abdellatif; Laakso, Dianna; Rocha, John-David Ray; Francis, Elizabeth & Marshall, Paul
Object Type:
Article
System:
The UNT Digital Library
IUPAC-NIST Solubility Data Series. 99. Solubility of Benzoic Acid and Substituted Benzoic Acids in Both Neat Organic Solvents and Organic Solvent Mixtures.
Article on the solubility of benzoic acid and substituted benzoic acids in both neat organic solvents and organic solvent mixtures.
Date:
May 15, 2013
Creator:
Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Limiting Diffusion Coefficients for Ions and Nonelectrolytes in Solvents Water, Methanol, Ethanol, Propan-1-ol, Butan-1-ol, Octan-1-ol, Propanone and Acetonitrile at 298 K, Analyzed Using Abraham Descriptors
Article describes study demonstrating that solute hydrogen bond acidity, solute hydrogen bond basicity and solute volume all lower the diffusion constants of ions and nonelectrolytes in the various solvents studied.
Date:
May 21, 2019
Creator:
Abraham, M. H. (Michael H.) & Acree, William E. (William Eugene)
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
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
Thermochemical Excess Properties of Multicomponent Systems: Representation and Estimation from Binary Mixing Data
Article on the thermochemical excess properties of multicomponent systems and representation and estimation from binary mixing data.
Date:
May 1, 1983
Creator:
Bertrand, Gary L.; Acree, William E. (William Eugene) & Burchfield, Thomas E.
Object Type:
Article
System:
The UNT Digital Library
The Dissociation Enthalpies of Terminal (N--O) Bonds in Organic Compounds
Article on the dissociation enthalpies of terminal (N-O) bonds in organic compounds.
Date:
May 27, 2005
Creator:
Acree, William E. (William Eugene); Pilcher, Geoffrey & Silva, Maria D. M. C. Ribeiro da
Object Type:
Article
System:
The UNT Digital Library
Selectivity and Mechanism of Hydrogen Atom Transfer by an Isolable Imidoiron (III) Complex
This article discusses a mechanistic study of hydrogen atom transfer by an isolable iron (III) imido complex, LᴹᵉFeNAd (Lᴹᵉ = bulky β-diketiminate ligand, 2,4-bis(2,6-diisopropylphenylimido)pentyl; Ad = 1-adamantyl).
Date:
May 12, 2011
Creator:
Cowley, Ryan E.; Eckert, Nathan A.; Vaddadi, Sridhar; Figg, Travis M.; Cundari, Thomas R., 1964- & Holland, Patrick L.
Object Type:
Article
System:
The UNT Digital Library
C-H Functionalization Reactivity of a Nickel-Imide
This article discusses C-H functionalization reactivity of a Nickel-Imide.
Date:
May 22, 2012
Creator:
Wiese, Stefan; McAfee, Jason L.; Pahls, Dale R.; McMullin, Claire L.; Cundari, Thomas R., 1964- & Warren, Timothy H.
Object Type:
Article
System:
The UNT Digital Library
Hydrogen-Deuerium Exchange between TpRu(PMe3)(L)X (L = PMe3 and X = OH, OPh, Me, Ph, or NHPh; L = NCMe and X = Ph) and Deuterated Arene Solvents: Evidence for Metal-Mediated Processes
This article discusses evidence for metal-mediated processes.
Date:
May 24, 2006
Creator:
Feng, Yuee; Lail, Marty; Foley, Nicholas A.; Gunnoe, T. Brent; Barakat, Khaldoon A.; Cundari, Thomas R., 1964- et al.
Object Type:
Article
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
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.
Object Type:
Article
System:
The UNT Digital Library
3-Center-4-Electron Bonding in [(silox)2Mo=NtBu]2(μ-Hg) Controls Reactivity while Frontier Orbitals Permit a Dimolybdenum π-Bond Energy Estimate
Article describing research on 3-center-4-electron bonding in [(silox)2Mo=NtBu]2(mu-Hg).
Date:
May 18, 2005
Creator:
Rosenfeld, Devon C.; Wolczanski, Peter T.; Barakat, Khaldoon A.; Buda, Corneliu & Cundari, Thomas R., 1964-
Object Type:
Article
System:
The UNT Digital Library
An Effective Core Potential Study of Transition-Metal Chalcogenides. 1. Molecular Structure
This article discusses an effective core potential study of transition-metal chalcogenides O, S, Se, and Te.
Date:
May 1994
Creator:
Benson, Michael T.; Cundari, Thomas R., 1964-; Lim, Soon J.; Nguyen, Hoang D. & Pierce-Beaver, Karen
Object Type:
Article
System:
The UNT Digital Library
Small Molecule Elimination from Group IVB (Ti, Zr, Hf) Amido Complexes
This article discusses small molecule elimination from group IVB (Ti, Zr, Hf) amido complexes. An ab initio quantum chemical analysis of HX (X = H, CH₃, Cl, NH₂, SiH₃) elimination by group IVB (Ti, Zr, Hf) amidos (H₂(X)M - NH₂ → H₂M = NH + HX), of interest in the context of CVD precursor design, is reported.
Date:
May 1993
Creator:
Cundari, Thomas R., 1964- & Gordon, Mark S.
Object Type:
Article
System:
The UNT Digital Library
Calculation of the Surface Tension of Ordinary Organic and Ionic Liquids by Means of a Generally Applicable Computer Algorithm Based on the Group-Additivity Method
This article presents the calculation of the surface tension of ordinary organic and ionic liquids, based on a computer algorithm applying a refined group-additivity method.
Date:
April 16, 2018
Creator:
Naef, Rudolf
Object Type:
Article
System:
The UNT Digital Library
Solubility of Pyrene in Binary Alcohol + 2-Methyl-2-butanol Solvent Mixtures at 299.2 K
Article on the solubility of pyrene in binary alcohol + 2-methyl-2-butanol solvent mixtures at 299.2 K.
Date:
May 12, 1997
Creator:
McHale, Mary E. R.; Coym, Karen S.; Fletcher, Kristin A. & Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Solubility of Anthracene in Ternary Methyl tert-Butyl Ether + Alcohol + Cyclohexane Solvent Mixtures at 298.15 K
Article on the solubility of anthracene in ternary methyl tert-butyl ether + alcohol + cyclohexane solvent mixtures at 298.15 K.
Date:
May 5, 2000
Creator:
Pribyla, Karen J.; Spurgin, Michael A.; Chuca, Ivette & Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Solubility of Anthracene in Multicomponent Solvent Mixtures Containing Propanol, Butanol, and Alkanes
Article on the solubility of anthracene in multicomponent Solvent Mixtures Containing Propanol, Butanol, and Alkanes.
Date:
May 29, 1999
Creator:
Deng, Taihe; Horiuchi, Satoru; De Fina, Karina M.; Hernández, Carmen E. & Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Mathematical Representation of Viscosity of Ionic Liquid + Molecular Solvent Mixtures at Various Temperatures Using the Jouyban-Acree Model
Article on mathematical representation of viscosity of ionic liquid and molecular solvent mixtures at various temperatures using the Jouyban-Acree model.
Date:
May 6, 2013
Creator:
Jouyban, Abolghasem; Soleymani, Jafar; Jafari, Farshad; Khoubnasabjafari, Mehry & Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Infinite Dilution Activity Coefficients of Solutes Dissolved in Two Trihexyl(tetradecyl)phosphonium ionic liquids
Article discussing infinite dilution activity coefficients of solutes dissolved in two trihexyl(tetradecyl)phosphonium ionic liquids.
Date:
May 7, 2014
Creator:
Mutelet, Fabrice; Alonso, Dominique; 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
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