You limited your search to:

  Partner: UNT College of Arts and Sciences
 Department: Chemistry
 Decade: 2000-2009
 Year: 2006
 Collection: UNT Scholarly Works
Accurate Enthalpies of Formation of Alkali and Alkaline Earth Metal Oxides and Hydroxides: Assessment of the Correlation Consistent Composite Approach (ccCA)

Accurate Enthalpies of Formation of Alkali and Alkaline Earth Metal Oxides and Hydroxides: 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.
Description: 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).
Contributing Partner: UNT College of Arts and Sciences
Air to Muscle and Blood/Plasma to Muscle Distribution of Volatile Organic Compounds and Drugs: Linear Free Energy Analyses

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

Date: April 20, 2006
Creator: Abraham, M. H. (Michael H.); Ibrahim, Adam & Acree, William E. (William Eugene)
Description: Article on air to muscle and blood/plasma to muscle distribution of volatile organic compounds and drugs and linear free energy analyses.
Contributing Partner: UNT College of Arts and Sciences
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)

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)

Date: January 12, 2006
Creator: Sydora, Orson L.; Kuiper, David S.; Wolczanski, Peter T.; Lobkovsky, Emil B.; Dinescu, Adriana & Cundari, Thomas R., 1964-
Description: 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).
Contributing Partner: UNT College of Arts and Sciences
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

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

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.
Description: Article on chemistry surrounding monomeric copper(I) methyl, phenyl, anilido, ethoxide, and phenoxide complexes supported by N-heterocyclic carbene ligands.
Contributing Partner: UNT College of Arts and Sciences
Comments on "Solvation Parameters. 2. A Simplified Molecular Topology to Generate Easily Optimized Values"

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

Date: September 8, 2006
Creator: Mintz, Christina; Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.)
Description: 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.
Contributing Partner: UNT College of Arts and Sciences
The correlation-consistent composite approach: Application to the G3/99 test set

The correlation-consistent composite approach: 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.
Description: Article discussing research on the correlation consistent composite approach (ccCA) and an application to the G3/99 test set.
Contributing Partner: UNT College of Arts and Sciences
The correlation consistent composite approach (ccCA): An alternative to the Gaussian-n methods

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

Date: March 17, 2006
Creator: DeYonker, Nathan J.; Cundari, Thomas R., 1964- & Wilson, Angela K.
Description: Article discussing research on the correlation consistent composite approach (ccCA) and an alternative to the Gaussian-n methods.
Contributing Partner: UNT College of Arts and Sciences
Correlation of retention factor of analytes in quaternary solvent mobile phases using the Jouyban-Acree model

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)
Description: Article on the correlation of retention factor of analytes in quaternary solvent mobile phases using the Jouyban-Acree model.
Contributing Partner: UNT College of Arts and Sciences
Disproportionation of Gold(II) Complexes. A Density Functional Study of Ligand and Solvent Effects

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

Date: July 13, 2006
Creator: Barakat, Khaldoon A.; Cundari, Thomas R., 1964-; Rabaâ, Hassan & Omary, Mohammad A.
Description: This article discusses disproportionation of gold(II) as an atomic ion as well as with chloride and neutral ligands.
Contributing Partner: UNT College of Arts and Sciences
Effects of covalency on the p-shell photoemission of transition metals: MnO

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

Date: April 13, 2006
Creator: Bagus, Paul S. & Ilton, Eugene S.
Description: 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.
Contributing Partner: UNT College of Arts and Sciences
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

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

Date: May 24, 2006
Creator: Feng, Yuee; Lail, Marty; Foley, Nicholas A.; Gunnoe, T. Brent; Barakat, Khaldoon A.; Cundari, Thomas R., 1964- et al.
Description: This article discusses evidence for metal-mediated processes.
Contributing Partner: UNT College of Arts and Sciences
In silico prediction of drug solubility in water-ethanol mixtures using Jouyban-Acree model

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)
Description: Article on the in silico prediction of drug solubility in water-ethanol mixtures using Jouyban-Acree model.
Contributing Partner: UNT College of Arts and Sciences
Intertrimer and Intratrimer Metallophilic and Excimeric Bonding in the Ground and Phosphorescent States of Trinuclear Coinage Metal Pyrazolates: A Computational Study

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

Date: April 8, 2006
Creator: Grimes, Thomas V.; Omary, Mohammad A.; Dias, H. V. Rasika & Cundari, Thomas R., 1964-
Description: This article discusses intertrimer and intratrimer metallophilic and excimeric bonding.
Contributing Partner: UNT College of Arts and Sciences
The Kinetics of the NH Reaction with H2 and Reassessment of HNO Formation from NH + CO2, H2O

The Kinetics of the NH Reaction with H2 and Reassessment of HNO Formation from NH + CO2, H2O

Date: May 1, 2006
Creator: Fontijn, A. (Arthur); Shamsuddin, Sayed M.; Crammond, Duane; Marshall, Paul & Anderson, William R.
Description: Article on kinetics of the NH reaction with H2 and reassessment of HNO formation from NH + CO2, H2O.
Contributing Partner: UNT College of Arts and Sciences
Mathematical representation of solubility of amino acids in binary aqueous-organic solvent mixtures at various temperatures using the Jouyban-Acree model

Mathematical representation of solubility of amino acids in binary aqueous-organic solvent mixtures at various temperatures using the Jouyban-Acree model

Date: September 1, 2006
Creator: Jouyban, Abolghasem; Khoubnasabjafari, Maryam; Chan, Hak-Kim & Acree, William E. (William Eugene)
Description: Article on mathematical representation of solubility of amino acids in binary aqueous-organic solvent mixtures at various temperatures using the Jouyban-Acree model.
Contributing Partner: UNT College of Arts and Sciences
Modeling the Solvatochromic Parameter [E[NT]] of Mixed Solvents with Respect to Solvent Composition and Temperature using the Jouyban-Acree Model

Modeling the Solvatochromic Parameter [E[NT]] of Mixed Solvents with Respect to Solvent Composition and Temperature using the Jouyban-Acree Model

Date: 2006
Creator: Jouyban, Abolghasem; Khoubnasabjafari, Maryam & Acree, William E. (William Eugene)
Description: Article on modeling the solvatochromic parameter [E[NT]] of mixed solvents with respect to solvent composition and temperature using the Jouyban-Acree model.
Contributing Partner: UNT College of Arts and Sciences
Modified transition state theory and negative apparent activation energies of simple metathesis reactions: Application to the reaction CH₃ + HBr + CH₄ + Br

Modified transition state theory and negative apparent activation energies of simple metathesis reactions: Application to the reaction CH₃ + HBr + CH₄ + Br

Date: December 18, 2006
Creator: Krasnoperov, Lev N.; Peng, Jingping & Marshall, Paul
Description: Article on modified transition state theory and negative apparent activation energies of simple metathesis reactions and application to the reaction CH₃ + HBr + CH₄ + Br.
Contributing Partner: UNT College of Arts and Sciences
Novel Metal Hydroxide Derivatives Containing Chemically Bound Organophosphorus or Polyphosphate Species as Flame Retardants

Novel Metal Hydroxide Derivatives Containing Chemically Bound Organophosphorus or Polyphosphate Species as Flame Retardants

Date: March 29, 2006
Creator: Braterman, Paul S.; D'Souza, Nandika & Dharia, Amit
Description: Patent relating to novel metal hydroxide derivatives containing chemically bound organophosphorus or polyphosphate species as flame retardants.
Contributing Partner: UNT College of Arts and Sciences
Octahedral [TpRu(PMe3)2OR]n+ Complexes (Tp = hydridotris(pyrazolyl)borate; R = H or Ph; n = 0 or 1): Reactions at Ru(II) and Ru(III) Oxidation States with Substrates that Possess Carbon-Hydrogen Bonds

Octahedral [TpRu(PMe3)2OR]n+ Complexes (Tp = hydridotris(pyrazolyl)borate; R = H or Ph; n = 0 or 1): Reactions at Ru(II) and Ru(III) Oxidation States with Substrates that Possess Carbon-Hydrogen Bonds

Date: September 15, 2006
Creator: Feng, Yuee; Gunnoe, T. Brent; Grimes, Thomas V. & Cundari, Thomas R., 1964-
Description: This article discusses octahedral [TpRu(PMe3)2OR]n+ Complexes (Tp = hydridotris(pyrazolyl)borate.
Contributing Partner: UNT College of Arts and Sciences
Oxygen Atom Transfer Energetics: Assessment of the Effect of Method and Solvent

Oxygen Atom Transfer Energetics: Assessment of the Effect of Method and Solvent

Date: February 23, 2006
Creator: Dinescu, Adriana; Whiteley, Clinton; Combs, Rachel R. & Cundari, Thomas R., 1964-
Description: This article discusses oxygen atom transfer energetics.
Contributing Partner: UNT College of Arts and Sciences
Phase Change Enthalpies and Entropies of Liquid Crystals

Phase Change Enthalpies and Entropies of Liquid Crystals

Date: July 17, 2006
Creator: Acree, William E. (William Eugene) & Chickos, James S.
Description: Article on phase change enthalpies and entropies of liquid crystals.
Contributing Partner: UNT College of Arts and Sciences
Predicting Solubility of Anthracene in Non-aqueous Solvent Mixtures Using a Combination of Jouyban-Acree and Abraham Models

Predicting 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)
Description: Article on predicting the solubility of anthracene in non-aqueous solvent mixtures using a combination of Jouyban-Acree and Abraham models.
Contributing Partner: UNT College of Arts and Sciences
The reaction of OH with acetaldehyde and deuterated acetaldehyde: Further insight into the reaction mechanism at both low and elevated temperatures

The reaction of OH with acetaldehyde and deuterated acetaldehyde: Further insight into the reaction mechanism at both low and elevated temperatures

Date: June 8, 2006
Creator: Taylor, Philip H.; Yamada, Takahiro & Marshall, Paul
Description: Article on the reaction of OH with acetaldehyde and deuterated acetaldehyde and further insight into the reaction mechanism at both low and elevated temperatures.
Contributing Partner: UNT College of Arts and Sciences
Reactions of a Ru(II) Phenyl Complex with Substrates that Possess C-N or C-O Multiple Bonds: C-C Bond Formation, N-H Bond Cleavage, and Decarbonylation Reactions

Reactions of a Ru(II) Phenyl Complex with Substrates that Possess C-N or C-O Multiple Bonds: C-C Bond Formation, N-H Bond Cleavage, and Decarbonylation Reactions

Date: February 8, 2006
Creator: Lee, John P.; Pittard, Karl A.; DeYonker, Nathan J.; Cundari, Thomas R., 1964-; Gunnoe, T. Brent & Petersen, Jeffrey L.
Description: Article on the reactions of an Ru(II) phenyl complex with substrates that possess C-N or C-O multiple bonds and C-C bond formation, N-H bond cleavage, and decarbonylation reactions.
Contributing Partner: UNT College of Arts and Sciences
FIRST PREV 1 2 NEXT LAST