UNT College of Arts and Sciences - 34 Matching Results
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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)
- 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).
- 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.
- 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).
- 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.
- 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.
- 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.
- 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.
- 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.
- 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.
- 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.
- 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.
- 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.
- 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.
- The Kinetics of the NH Reaction with H2 and Reassessment of HNO Formation from NH + CO2, H2O
- Article on kinetics of the NH reaction with H2 and reassessment of HNO formation from NH + CO2, H2O.
- Mathematical representation of solubility of amino acids in binary aqueous-organic solvent mixtures at various temperatures using the Jouyban-Acree model
- Article on mathematical representation of solubility of amino acids in binary aqueous-organic solvent mixtures at various temperatures 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
- Article on modeling the solvatochromic parameter [E[NT]] of mixed solvents with respect to solvent composition and temperature using the Jouyban-Acree model.
- Modified transition state theory and negative apparent activation energies of simple metathesis reactions: Application to the reaction CH₃ + HBr + CH₄ + Br
- Article on modified transition state theory and negative apparent activation energies of simple metathesis reactions and application to the reaction CH₃ + HBr + CH₄ + Br.
- Novel Metal Hydroxide Derivatives Containing Chemically Bound Organophosphorus or Polyphosphate Species as Flame Retardants
- Patent relating to novel metal hydroxide derivatives containing chemically bound organophosphorus or polyphosphate species as flame retardants.
- 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
- This article discusses octahedral [TpRu(PMe3)2OR]n+ Complexes (Tp = hydridotris(pyrazolyl)borate.
- Oxygen Atom Transfer Energetics: Assessment of the Effect of Method and Solvent
- This article discusses oxygen atom transfer energetics.
- Phase Change Enthalpies and Entropies of Liquid Crystals
- Article on phase change enthalpies and entropies of liquid crystals.
- 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.
- The reaction of OH with acetaldehyde and deuterated acetaldehyde: Further insight into the reaction mechanism at both low and elevated temperatures
- Article on the reaction of OH with acetaldehyde and deuterated acetaldehyde and further insight into the reaction mechanism at both low and elevated temperatures.
- 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
- 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.
- Rediscovery of the Elements: Aluminum
- Article describing the history of aluminum, from its use in alum to its isolation. Tourist information is given regarding locations pertinent to aluminum.
- Rediscovery of the Elements: Fluorine
- Article describing the isolation of elemental fluorine. Tourist information is given regarding locations pertinent to the element's history.
- The relaxation of OH (v = 1) and OD (v = 1) by H2O and D2O at temperatures from 251 to 390 K
- Article on the relaxation of OH (v = 1) and OD (v = 1) by H₂O and D₂O at temperatures from 251 to 390 K.
- Single-Electron Oxidation of Monomeric Copper(I) Alkyl Complexes: Evidence for Reductive Elimination through Biomolecular Formation of Alkanes
- This article discusses single-electron oxidation of monomeric copper(I) alkyl complexes.
- Solubility of Anthracene in Binary Diisopropyl Ether + Alkane Solvent Mixtures at 298.15 K
- Article on the solubility of anthracene in binary diisopropyl ether + alkane solvent mixtures at 298.15 K.
- Solubility Prediction of Paracetamol in Binary and Ternary Solvent Mixtures Using Jouyban-Acree Model
- Article discussing the solubility prediction of paracetamol in binary and ternary solvent mixtures using Jouyban-Acree model.
- Solubility Prediction of Pyrene in Non-Aqueous Solvent Mixtures Using Jouyban-Acree Model
- Article on the solubility prediction of pyrene in non-aqueous solvent mixtures using the Jouyban-Acree model.
- Solubility prediction of salicylic acid in water-ethanol-propylene glycol mixtures using the Jouyban-Acree model
- Article on the solubility prediction of salicylic acid in water-ethanol-propylene glycol mixtures using the Jouyban-Acree model.
- Thermal dissociation of SO₃ at 1000-1400 K
- Article on the thermal dissociation of SO3 at 1000 - 1400 K.
- Thermochemistry is not a lower bound to the activation energy of endothermic reactions: A kinetic study of the gas-phase reaction of atomic chlorine with ammonia
- Article on a kinetic study of the gas-phase reaction of atomic chlorine with ammonia.