UNT College of Arts and Sciences - 34 Matching Results
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- Application of a General Computer Algorithm Based on the Group-Additivity Method for the Calculation of Two Molecular Descriptors at Both Ends of Dilution: Liquid Viscosity and Activity Coefficient in Water at Infinite Dilution
- This paper presents the application of a commonly used computer algorithm based on the group-additivity method for the calculation of the liquid viscosity coefficient at 293.15 K and the activity coefficient at infinite dilution in water at 298.15 K or organic molecules.
- Carbon-Hydrogen Bond Activation, C-N Bond Coupling, and Cycloaddition Reactivity of a Three-Coordinate Nickel Complex Featuring a Terminal Imido Ligand
- In this study, we describe reaction chemistry of the first nickel(II) complexes having a terminally bound imido ligand, (dtbpe)Ni=NR (R = 2,6-ⁱPr₂C₆H₃, 2,3,6-Me₃C₆H₂ (Mes), and Ad) with various small unsaturated molecules.
- Carbon-Oxygen Bond Formation via Organometallic Baeyer-Villiger Transformations: A Computational Study on the Impact of Metal Identity
- Article discussing a computational study on the impact of metal identity and carbon-oxygen bond formation via organometallic Baeyer-Villiger transformations.
- 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.
- Comment on "Measurement and correlation of the solubility of p-coumaric acid in nine pure and water + ethanol mixed solvents at temperatures from 293.15 to 333.15 K"
- This article provides comments on the article "Measurement and correlation of the solubility of p-coumaric acid in nine pure and water + ethanol mixed solvents at temperatures from 293.15 to 333.15 K" published in the Journal of Chemical and Engineering Data in 2016.
- Comments Concerning "Fluorescent Probe Studies on the Microstructure of Polystyrene-Poly (vinylpyridine) Diblock Copolymer Film"
- This article provides comments on "Fluorescent Probe Studies on the Microstructure of Polystyrene-Poly (vinylpyridine) Diblock Copolymer Film," published in 'Macromolecules,' 1992.
- A Computational Investigation of the Molecular Geometry and Rotational Barriers in Ethylmethyl Ether
- Article on a computational investigation of the molecular geometry and rotational barriers in ethyl methyl ether.
- Computational studies of the potential energy surface for O(¹D) + H₂S: Characterization of pathways involving H₂SO, HOSH, and H₂OS
- Article on computational studies of the potential energy surface for O(¹D) + H₂S and the characterization of pathways involving H₂SO, HOSH, and H₂OS.
- Correlation of solute partitioning into isooctane from water and from the gas phase based on updated Abraham equations
- This article discusses the correlation of solute partitioning into isooctane from water and from the gas phase based on updated Abraham equations.
- Correlation of surface tension of mixed solvents with solvent composition
- Article on the correlation of surface tension of mixed solvents with solvent composition.
- A Coupled-Cluster Study of the Enthalpy of Formation of Nitrogen Sulfide, NS
- Article on a coupled-cluster study of the enthalpy of formation of nitrogen sulfide, NS.
- Descriptors for the Prediction of Partition Coefficients and Solubilities of Organophosphorus Compounds
- This article discusses the determination of Abraham descriptors for several series of organophosphorus compounds.
- Development of Abraham model correlations for solvation characteristics of linear alcohols
- This article discusses the development of Abraham model correlations for solvation characteristics of linear alcohols.
- Enthalpies of combustion of 2-iodosobenzoic acid and 4-nitrosophenol: the dissociation enthalpy of the I-O bond
- Article on the enthalpies of combustion of 2-iodosobenzoic acid and 4-nitrosophenol and the dissociation enthalpy of the I-O bond.
- Enthalpies of solution and enthalpies of solvation of organic solutes in ethylene glycol at 298.15 K: prediction and analysis of intermolecular interaction contributions
- This article studies thermochemistry of solvation of inert gases and organic solutes in ethylene glycol was thoroughly studied using solution calorimetry technique.
- 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.
- Excited State Charge Separation in Solution and in Electropolymerized Films of Terthiophene-Fullerene Dyad and Phenothiazine-Terthiophene-Fullerene Triad
- This article reports synthesis, X-ray structure and excited state events occurring in a terthiophene-C₆₀ dyad (TT-C₆₀), and a phenothiazine-terthiophene-C₆₀ triad (PTZ-TT-C₆₀).
- HTP kinetics studies of the reactions of O(2(3)Pj) atoms with H2 and D2 over wide temperature ranges
- Article on HTP kinetics studies of the reaction of O(2(3)Pj) atoms with H2 and D2 over wide temperature ranges.
- Kinetic studies of the reaction of atomic hydrogen with trifluoroiodomethane
- This article discusses kinetic studies of the reaction of atomic hydrogen with trifluoroiodomethane.
- Mathematical Representation of Solubility of Electrolytes in Binary Solvent Mixtures Using Jouyban-Acree Model
- Article discussing the mathematical representation of the solubility of electrolytes in binary solvent mixtures using the Jouyban-Acree model.
- Methane Activation by Group IVB Imido Complexes
- Article discussing an ab initio study of methane activation by group IVB imido complexes.
- Models to Predict Solubility in Ternary Solvents Based on Sub-binary Experimental Data
- Article on models to predict solubility in ternary solvents based on sub-binary experimental data.
- 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.
- Molecularly Imprinted Polymer Based Extended-Gate Field-Effect Transistor Chemosensors for Phenylalanine Enantioselective Sensing
- This article discusses the design and synthesis of molecularly imprinted polymers, guided by DFT calculations.
- On the mechanism for plasma hydrogenation of graphene
- This article discusses the mechanism for plasma hydrogenation of graphene.
- Prediction of drug solubility in ethanol-ethyl acetate mixtures at various temperatures using the Jouyban-Acree model
- Article on the prediction of drug solubility in ethanol-ethyl acetate mixtures at various temperatures using the Jouyban-Acree model.
- Redox Activation of Alkene Ligands in Platinum Complexes with Non-innocent Ligands
- Article discussing the redox activation of alkene ligands in platinum complexes with non-innocent ligands.
- Solubility of Lamotrigine, Diazepam, and Clonazepam in Ethanol + Water Mixtures at 298.15 K
- Article on the solubility of lamotrigine, diazepam, and clonazepam in ethanol + water mixtures at 298.15 K.
- 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.
- Spectroscopic Properties of Polycyclic Aromatic Hydrocarbons: Effect of Solvent Polarity on the Fluorescence Emission Behavior of Select Fluoranthene, Fluorenochrysene, Indenochrysene, and Indenopyrene Derivatives
- Article on the spectroscopic properties of polycyclic aromatic hydrocarbons and the effect of solvent polarity on the fluorescence emission behavior of select fluoranthene, fluorenochrysene, indenochrysene, and indenopyrene derivatives.
- Studies of Low-Coordinate Iron Dinitrogen Complexes
- This article discusses low-coordinate iron dinitrogen complexes. Understanding the interaction of N₂ with iron is relevant to the iron catalyst used in the Haber process and to possible roles of the FeMoco active site of nitrogenase.
- Toward Greener Carbon Capture Technologies: A Pharmacophore-Based Approach to Predict CO₂ Binding Sites in Proteins
- This article describes the extraction of three-dimensional functional group patterns responsible for binding CO₂ from the few protein-CO₂ complexes that have been characterized by X-ray crystallography.
- A Two-Coordinate Nickel Imido Complex That Effects C-H Amination
- This article discusses a two-coordinate nickel imido complex that effects C-H amination.
- Variable Pathways for Oxygen Atom Insertion into Metal-Carbon Bonds: The Case of Cp*W(O)₂(CH₂SiMe₃)
- Article discussing variable pathways for oxygen atom insertion into metal-carbon bonds and the case of Cp*W(O)2(CH2SiMe3).