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Accurate Enthalpies of Formation of Alkali and Alkaline Earth Metal Oxides and Hydroxides: Assessment of the Correlation Consistent Composite Approach (ccCA) (open access)

Accurate Enthalpies of Formation of Alkali and Alkaline Earth Metal Oxides and Hydroxides: Assessment of the Correlation Consistent Composite Approach (ccCA)

Article on accurate enthalpies of formation of alkali and alkaline earth metal oxides and hydroxides and an assessment of the correlation consistent composite approach (ccCA).
Date: July 12, 2006
Creator: Ho, Dustin S.; DeYonker, Nathan J.; Cundari, Thomas R., 1964- & Wilson, Angela K.
Object Type: Article
System: The UNT Digital Library
Air to Muscle and Blood/Plasma to Muscle Distribution of Volatile Organic Compounds and Drugs: Linear Free Energy Analyses (open access)

Air to Muscle and Blood/Plasma to Muscle Distribution of Volatile Organic Compounds and Drugs: Linear Free Energy Analyses

Article on air to muscle and blood/plasma to muscle distribution of volatile organic compounds and drugs and linear free energy analyses.
Date: April 20, 2006
Creator: Abraham, M. H. (Michael H.); Ibrahim, Adam & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
The Butterfly Dimer [(tBu3SiO)Cr]2 (μ-OSitBu3)2 and Its Oxidative Cleavage to (tBu3SiO)2 Cr(=N-N=CPh2)2 and (tBu3SiO)2 Cr=N(2,6-Ph2-C6H3) (open access)

The Butterfly Dimer [(tBu3SiO)Cr]2 (μ-OSitBu3)2 and Its Oxidative Cleavage to (tBu3SiO)2 Cr(=N-N=CPh2)2 and (tBu3SiO)2 Cr=N(2,6-Ph2-C6H3)

Article discussing research on the butterfly dimer [(ᵗBu₃SiO)Cr]₂(μ-OSiᵗBu₃)₂ and its oxidative cleavage to (ᵗBu₃SiO)₂Cr(=N-N=CPh₂)₂ and (ᵗBu₃SiO)₂Cr=N(2,6-Ph₂-C₆H₃).
Date: January 12, 2006
Creator: Sydora, Orson L.; Kuiper, David S.; Wolczanski, Peter T.; Lobkovsky, Emil B.; Dinescu, Adriana & Cundari, Thomas R., 1964-
Object Type: Article
System: The UNT Digital Library
Chandra Observations of the Highest Redshift Quasars from the Sloan Digital Sky Survey (open access)

Chandra Observations of the Highest Redshift Quasars from the Sloan Digital Sky Survey

This article presents Chandra observations of 21 z > 4 quasars, including 11 sources at z > 5.
Date: February 17, 2006
Creator: Shemmer, Ohad; Brandt, William Nielsen; Schneider, Donald P.; Fan, Xiaohui; Strauss, Michael A.; Diamond-Stanic, Aleksandar M. et al.
Object Type: Article
System: The UNT Digital Library
Chemistry Surrounding Monomeric Copper(l) Methyl, Phenyl, Anilido, Ethoxide, and Phenoxide Complexes Supported by N-Heterocyclic Carbene Ligands: Reactivity Consistent with Both Early and Late Transition Metal Systems (open access)

Chemistry Surrounding Monomeric Copper(l) Methyl, Phenyl, Anilido, Ethoxide, and Phenoxide Complexes Supported by N-Heterocyclic Carbene Ligands: Reactivity Consistent with Both Early and Late Transition Metal Systems

Article on chemistry surrounding monomeric copper(I) methyl, phenyl, anilido, ethoxide, and phenoxide complexes supported by N-heterocyclic carbene ligands.
Date: September 27, 2006
Creator: Goj, Laurel A.; Blue, Elizabeth D.; Delp, Samuel A.; Gunnoe, T. Brent; Cundari, Thomas R., 1964-; Pierpont, Aaron W. et al.
Object Type: Article
System: The UNT Digital Library
Coiled-Coil Nanomechanics and Uncoiling and Unfolding of the Superhelix and  α-Helices of Myosin (open access)

Coiled-Coil Nanomechanics and Uncoiling and Unfolding of the Superhelix and α-Helices of Myosin

Article on coiled-coil nanomechanics and uncoiling and unfolding of the superhelix and α-helices of myosin.
Date: January 6, 2006
Creator: Root, Douglas D.; Yadavalli, Vamsi K.; Forbes, Jeffrey G. & Wang, Kuan
Object Type: Article
System: The UNT Digital Library
Comments on "Solvation Parameters. 2. A Simplified Molecular Topology to Generate Easily Optimized Values" (open access)

Comments on "Solvation Parameters. 2. A Simplified Molecular Topology to Generate Easily Optimized Values"

This article provides comments on "Solvation Parameters. 2. A Simplified Molecular Topology to Generate Easily Optimized Values," published in the Journal of Chemical Information and Modeling.
Date: September 8, 2006
Creator: Mintz, Christina; Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.)
Object Type: Article
System: The UNT Digital Library
The correlation-consistent composite approach: Application to the G3/99 test set (open access)

The correlation-consistent composite approach: Application to the G3/99 test set

Article discussing research on the correlation consistent composite approach (ccCA) and an application to the G3/99 test set.
Date: September 13, 2006
Creator: DeYonker, Nathan J.; Grimes, Thomas V.; Yockel, Scott; Dinescu, Adriana; Mintz, Benjamin; Cundari, Thomas R., 1964- et al.
Object Type: Article
System: The UNT Digital Library
The correlation consistent composite approach (ccCA): An alternative to the Gaussian-n methods (open access)

The correlation consistent composite approach (ccCA): An alternative to the Gaussian-n methods

Article discussing research on the correlation consistent composite approach (ccCA) and an alternative to the Gaussian-n methods.
Date: March 17, 2006
Creator: DeYonker, Nathan J.; Cundari, Thomas R., 1964- & Wilson, Angela K.
Object Type: Article
System: The UNT Digital Library
Correlation of retention factor of analytes in quaternary solvent mobile phases using the Jouyban-Acree model (open access)

Correlation of retention factor of analytes in quaternary solvent mobile phases using the Jouyban-Acree model

Article on the correlation of retention factor of analytes in quaternary solvent mobile phases using the Jouyban-Acree model.
Date: May 1, 2006
Creator: Hanaee, Jalal; Jouyban, Abolghasem; Rashidi, M. R.; Esnaashari, Solmaz & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Disproportionation of Gold(II) Complexes. A Density Functional Study of Ligand and Solvent Effects (open access)

Disproportionation of Gold(II) Complexes. A Density Functional Study of Ligand and Solvent Effects

This article discusses disproportionation of gold(II) as an atomic ion as well as with chloride and neutral ligands.
Date: July 13, 2006
Creator: Barakat, Khaldoon A.; Cundari, Thomas R., 1964-; Rabaâ, Hassan & Omary, Mohammad A.
Object Type: Article
System: The UNT Digital Library
Dynamical Origin of Memory and Renewal (open access)

Dynamical Origin of Memory and Renewal

This article discusses a dynamical origin of memory and renewal.
Date: August 8, 2006
Creator: Cakir, Rasit; Grigolini, Paolo & Krokhin, Arkadii A.
Object Type: Article
System: The UNT Digital Library
Effects of Coumarate 3-Hydroxylase Down-regulation on Lignin Structure (open access)

Effects of Coumarate 3-Hydroxylase Down-regulation on Lignin Structure

Article on the effects of coumarate 3-hydroxylase down-regulation on lignin structure.
Date: March 31, 2006
Creator: Ralph, John; Akiyama, Takuya; Kim, Hoon; Lu, Fachuang; Schatz, Paul F.; Marita, Jane M. et al.
Object Type: Article
System: The UNT Digital Library
Effects of covalency on the p-shell photoemission of transition metals: MnO (open access)

Effects of covalency on the p-shell photoemission of transition metals: MnO

This article discusses the effects of covalency on the p-shell photoemission of transition metals. The treatment of covalency has not been included previously in ab initio theoretical studies of the 2p-shell XPS of transition-metal complexes. In this work, covalent interactions between the metal and ligands are treated on an equal footing with spin-orbit splittings.
Date: April 13, 2006
Creator: Bagus, Paul S. & Ilton, Eugene S.
Object Type: Article
System: The UNT Digital Library
Engineering isoflavone metabolism with an artificial bifunctional enzyme (open access)

Engineering isoflavone metabolism with an artificial bifunctional enzyme

Article on engineering isoflavone metabolism with an artificial bifunctional enzyme.
Date: February 16, 2006
Creator: Tian, Li & Dixon, R. A.
Object Type: Article
System: The UNT Digital Library
The essential uniqueness of the Connes-Morley theorem (open access)

The essential uniqueness of the Connes-Morley theorem

Article on the essential uniqueness of the Connes-Morley theorem.
Date: 2006
Creator: Anghel, Nicolae
Object Type: Article
System: The UNT Digital Library
Estimating the Economic Impact of Universities: The Case of Bowling Green State University (open access)

Estimating the Economic Impact of Universities: The Case of Bowling Green State University

This article describes the results of an economic impact study of Bowling Green State University, Ohio.
Date: 2006
Creator: Carroll, Michael C. & Smith, Bruce W.
Object Type: Article
System: The UNT Digital Library
First-principles theory of metal-alkaline earth oxide interfaces (open access)

First-principles theory of metal-alkaline earth oxide interfaces

Article on the first-principles theory of metal-alkaline earth oxide interfaces.
Date: June 21, 2006
Creator: Nuñez, Matías & Buongiorno Nardelli, Marco
Object Type: Article
System: The UNT Digital Library
Functional analysis of members of the isoflavone and isoflavanone O-methyltransferase enzyme families from the model legume Medicago truncatula (open access)

Functional analysis of members of the isoflavone and isoflavanone O-methyltransferase enzyme families from the model legume Medicago truncatula

Article on a functional analysis of members of the isoflavone and isoflavanone O-methyltransferase enzyme families from the model legume Medicago truncatula.
Date: September 26, 2006
Creator: Deavours, Bettina E.; Liu, Chang-Jun; Naoumkina, Marina A.; Tang, Yuhong; Farag, Mohamed A.; Sumner, Lloyd W. et al.
Object Type: Article
System: The UNT Digital Library
The Hard X-Ray Spectral Slope as an Accretion Rate Indicator in Radio-Quiet Active Galactic Nuclei (open access)

The Hard X-Ray Spectral Slope as an Accretion Rate Indicator in Radio-Quiet Active Galactic Nuclei

This article presents XMM-Newton observations of two luminous and high accretion rate radio-quiet active galactic nuclei at z ~ 2.
Date: June 14, 2006
Creator: Shemmer, Ohad; Brandt, William Nielsen; Netzer, Hagai; Maiolino, Roberto & Kaspi, Shai
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 (open access)

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
Image of the Future in Russian Communism: Narratives of the Collective Representations in the 1920s in the USSR (open access)

Image of the Future in Russian Communism: Narratives of the Collective Representations in the 1920s in the USSR

This article discusses the image of the future in Russian communism.
Date: 2006
Creator: Velikanova, Olga V.
Object Type: Article
System: The UNT Digital Library
In silico prediction of drug solubility in water-ethanol mixtures using Jouyban-Acree model (open access)

In silico prediction of drug solubility in water-ethanol mixtures using Jouyban-Acree model

Article on the in silico prediction of drug solubility in water-ethanol mixtures using Jouyban-Acree model.
Date: August 25, 2006
Creator: Jouyban, Abolghasem & Acree, William E. (William Eugene)
Object Type: Article
System: The UNT Digital Library
Intertrimer and Intratrimer Metallophilic and Excimeric Bonding in the Ground and Phosphorescent States of Trinuclear Coinage Metal Pyrazolates: A Computational Study (open access)

Intertrimer and Intratrimer Metallophilic and Excimeric Bonding in the Ground and Phosphorescent States of Trinuclear Coinage Metal Pyrazolates: A Computational Study

This article discusses intertrimer and intratrimer metallophilic and excimeric bonding.
Date: April 8, 2006
Creator: Grimes, Thomas V.; Omary, Mohammad A.; Dias, H. V. Rasika & Cundari, Thomas R., 1964-
Object Type: Article
System: The UNT Digital Library