UNT College of Arts and Sciences - 2,275 Matching Results
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- Enthalpy of Solvation Correlations for Gaseous Solutes Dissolved in Water and in 1-Octanol Based on the Abraham Model
- Article on the enthalpy of solvation correlations for gaseous solutes dissolved in water and in 1-octanol based on the Abraham model.
- Development of Surface-SFED Models for Polar Solvents
- This article discusses the development of surface-SFED models for polar solvents.
- Excess Molar Volumes of Binary Mixtures of Cyclohexane and y-Butyrolactone with Aromatic Hydrocarbons
- This article discusses excess molar volumes of binary mixtures of cyclohexane and y-butyrolactone with aromatic hydrocarbons.
- Solubility and preferential solvation of some n-alkyl-parabens in methanol + water mixtures at 298.15 K
- This article describes methyl, ethyl and propyl parabens equilibrium solubility as determined in (methanol + water) binary mixtures at 298.15 K.
- Solubility of Pyrene in Binary Solvent Mixtures Containing Cyclohexane
- This article discusses solubility of pyrene in binary solvent mixtures containing cyclohexane.
- Solubility of Phenylacetic Acid in Binary Solvent Mixtures
- Article on the solubility of phenylacetic acid in binary solvent mixtures.
- Solubility of Anthracene in Binary Solvent Mixtures Containing Dibutyl Ether
- Article on the solubility of anthracene in binary solvent mixtures containing dibutyl ether.
- Solubility of Pyrene in Binary Solvent Mixtures Containing Dibutyl Ether
- This article discusses the solubility of pyrene in binary solvent mixtures containing dibutyl ether.
- Isentropic Compressibility of an Ideal Ternary Solution
- Article on isentropic compressibility of an ideal ternary solution.
- Thermodynamic Properties of Organic Compounds. 2. Combustion and Sublimation Enthalpies of 2,4,6-Trimethylbenzonitrile N-Oxide
- Article discussing thermodynamic properties of organic compounds and combustion and sublimation enthalpies of 2,4,6-trimethylbenzonitrile N-oxide.
- Spontaneous coordinated activity in cultured networks: analysis of multiple ignition sites, primary circuits, and burst phase delay distributions
- This article discusses an analysis of multiple ignition sites, primary circuits, and burst phase delay distributions.
- The ACTive Intervention in Hospice Interdisciplinary Team Meetings: Exploring family caregiver and hospice team communication
- Article describing family caregiver and hospice team communication and the ACTive intervention in hospice interdisciplinary team meetings.
- Role of the left aortic arch and blood flows in embryonic American alligator (Alligator mississippiensis)
- This article investigates the role of the left aorta (LAo) in embryonic American alligators by surgically occluding the LAo and measuring oxygen consumption and, in addition, measured hemodynamic responses to hypoxia in embryonic alligators.
- Performance of Density Functional Theory for 3d Transition Metal-Containing Complexes: Utilization of the Correlation Consistent Basis Sets
- Article discussing the performance of density functional theory for 3d transition metal-containing complexes and the utilization of the correlation consistent basis sets.
- Rate constant for the reaction C₂H₅ + HBr → C₂H₆ + Br
- Article on the rate constant for the reaction C2H5 + HBr → C2H6 + Br.
- Cyclooctatetraenes Tetrakis-Annelated with α-Dithio- or α-Diselenocarbonyl Groups: Diradicals Predicted To Have Ground States with 10 π Electrons in the Eight-Membered Ring and Two-Center, Three-Electron, σ Bonds between Two Pairs of Chalcogen Atoms
- Article on cyclooctatetraenes tetrakis-annelated with α-dithio- or α-diselenocarbonyl groups.
- 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.
- Photoelectron Spectroscopic Study of the Oxyallyl Diradical
- Article on a photoelectron spectroscopic study of the oxyallyl diradical.
- Rate coefficients and product branching measurements for the reaction OH + bromopropane from 230 to 360 K
- Article on rate coefficient and product branching measurements for the reaction OH + bromopropane from 230 to 360 K.
- Rate coefficients and mechanistic analysis for the reaction of hydroxyl radicals with 1,1-dichloroethylene and trans-1,2-dichloroethylene over an extended temperature range
- Article on rate coefficients and mechanistic analysis for the reaction of hydroxyl radicals with 1,1-dichloroethylene and trans-1,2-dichloroethylene over an extended temperature range.
- An investigation of the reaction of CH₃S with CO
- Article on an investigation of the reaction of CH₃S with CO.
- Kinetic studies of the Cl + HI reaction using three techniques
- Article on kinetic studies of the Cl + HI reaction using three techniques.
- Rate coefficients and mechanistic analysis for reaction of OH with vinyl chloride between 293 and 730 K
- Article on rate coefficients and mechanistic analysis for reaction of OH with vinyl chloride between 293 and 730 K.
- Experimental and Computational Studies of the Kinetics of the Reaction of Atomic Hydrogen with Methanethiol
- Article on experimental and computational studies of the kinetics of the reaction of atomic hydrogen with methanethiol.
- Energetics of the N-O Bonds in 2-Hydroxyphenazine-di-N-oxide
- Article on energetics of the N-O bonds in 2-hydroxyphenazine-di-N-oxide.
- Rate Constant and Thermochemistry for K + O2 + N2 = KO2 + N2
- This article discusses rate constant and thermochemistry for K + O2 + N2 = KO2 + N2.
- Representing Global Reactive Potential Energy Surfaces Using Gaussian Processes
- This article presents a detailed study on constructing potential energy surfaces using a machine learning method, namely, Gaussian process regression.
- Relative Rate and Product Studies of the Reactions of Atomic Chlorine With Tetrafluoroethylene, 1,2-Dichloro-1,2-Difluoroethylene, 1,1-Dichloro-2,2-Difluoroethylene, and Hexafluoro-1,3-Butadiene in the Presence of Oxygen
- This article assesses rates of reactions in the context of atmospheric chemistry.
- Ion Beam Analyses of Carbon Nanotubes
- This article discusses ion beam analyses of carbon nanotubes.
- Temperature and Pressure Dependence of the Reaction S + CS (+M) → CS2 (+M)
- Article on temperature and pressure dependence of the reaction S + CS (+M) → CS2 (+M).
- Glyoxal Oxidation Mechanism: Implications for the Reactions HCO + O2 and OCHCHO + HO2
- Article on glyoxal oxidation mechanism and implications for the reactions HCO + O2 and OCHCHO + HO2.
- Characterization of Reaction Pathways on the Potential Energy Surfaces for H + SO2 and HS + O2
- Article on the characterization of reaction pathways on the potential energy surfaces for H + SO2 and HS + O2.
- Experimental and ab Initio Investigations of the Kinetics of the Reaction of H Atoms with H2S
- Article on experimental and ab initio investigations of the kinetics of the reaction of H atoms with H2S.
- Thermochemistry of the Ethyl Radical and the C-H Bond Strength in Ethane
- Article on the thermochemistry of the ethyl radical and the C-H bond strength in ethane.
- Oxygen Atom Transfer Energetics: Assessment of the Effect of Method and Solvent
- This article discusses oxygen atom transfer energetics.
- 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.
- A computational study of the thermochemistry of bromine- and iodine-containing methanes and methyl radicals
- Article on a computational study of the thermochemistry of bromine- and iodine-containing methanes and methyl radicals.
- 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.
- Thermal dissociation of SO₃ at 1000-1400 K
- Article on the thermal dissociation of SO3 at 1000 - 1400 K.
- 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.
- Rate Constants and Hydrogen Isotope Substitution Effects in the CH₃ + HCl and CH₃ + Cl₂
- Article on rate constants and hydrogen isotope substitution effects in the CH₃ + HCl and CH₃ + Cl₂ reactions.
- Reactions of SO₃ with the O/H Radical Pool under Combustion Conditions
- Article on reactions of SO₃ with the O/H radical pool under combustion conditions.
- Quantitative Computational Thermochemistry of Transition Metal Species
- This article discusses quantitative computational thermochemistry of transition metal species. The correlation consistent Composite Approach (ccCA), which has been shown to achieve chemical accuracy (±1 kcal mol⁻¹) for a large benchmark set of main group and s-block metal compounds, is used to compute enthalpies of formation for a set of 17 3d transition metal species.
- Computational s-Block Thermochemistry with the Correlation Consistent Composite Approach
- Article discussing research on computational s-block thermochemistry with the correlation consistent composite approach, which has been shown to accurately compute gas-phase enthalapies of formation for alkali and alkaline earth metal oxides and hydroxides.
- Studies of the kinetics and thermochemistry of the forward and reverse reaction Cl + C₆H₆ = HCl + C₆H₅
- Article on studies of the kinetics and thermochemistry of the forward and reverse reaction Cl + C₆H₆ = HCl + C₆H₅.
- 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).
- Templated Growth of Hexagonal Nickel Carbide Nanocrystals on Vertically Aligned Carbon Nanotubes
- Article discussing the templated growth of hexagonal nickel carbon nanocrystals on vertically aligned carbon nanotubes.
- Complex Materials for Molecular Spintronics Applications: Cobalt Bis(dioxolene) Valence Tautomers, from Molecules to Polymers
- This article discusses complex materials for molecular spintronics applications.
- 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.
- Chiral Steering of Molecular Organization in the Limit of Weak Adsorbate-Substrate Interactions: Enantiopure and Racemic Tartaric Acid Domains on Ag(111)
- Article on the chiral steering of molecular organization in the limit of weak adsorbate-substrate interactions.