UNT College of Arts and Sciences - 288 Matching Results
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- 3-Center-4-Electron Bonding in [(silox)2Mo=NtBu]2(μ-Hg) Controls Reactivity while Frontier Orbitals Permit a Dimolybdenum π-Bond Energy Estimate
- Article describing research on 3-center-4-electron bonding in [(silox)2Mo=NtBu]2(mu-Hg).
- Ab Initio Studies of Polarization and Piezoelectricity in Vinylidene Fluoride and BN-Based Polymers
- Article on ab initio studies of polarization and piezoelectricity in vinylidene fluoride and BN-based polymers.
- 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).
- Activation of Carbon-Hydrogen and Hydrogen-Hydrogen Bonds by Copper-Nitrenes: A Comparison of Density Functionality Theory with Single- and Multireference Correlation Consistent Composite Approaches
- Article on a comparison of density functional theory with single- and multireference correlation consistent composite approaches (ccCA).
- Activation of Carbon-Hydrogen Bonds via 1,2-Addition across M-X (X = OH or NH2) Bonds of d6 Transition Metals as a Potential Key Step in Hydrocarbon Functionalization: A Computational Study
- Article discussing a computational study on the activation of carbon-hydrogen bonds via 1,2-addition across M-X (X = OH or NH2) bonds of d6 transition metals as a potential key step in hydrocarbon functionalization.
- Activity Coefficients at Infinite Dilution of Organic Compounds in Trihexyl(tetradecyl)phosphonium Bis(trifluoromethylsulfonyl)imide Using Inverse Gas Chromatography
- Article on activity coefficients at infinite dilution of organic compounds in trihexyl(tetradecyl)phosphonium Bis(trifluoromethylsulfonyl)imide using inverse gas chromatography.
- Air to Blood Distribution of Volatile Organic Compounds: A Linear Free Energy Analysis
- Article on air to blood distribution of volatile organic compounds and a linear free energy analysis.
- 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.
- Application of the Correlation Consistent Composite Approach (ccCA) to Third-Row (Ga-Kr) Molecules
- Article on the application of the correlation consistent composite approach (ccCA) to third-row (Ga-Kr) molecules.
- Aromatic C-H Activation and Catalytic Hydrophenylation of Ethylene by TpRu{P(OCH2)3CEt} (NCMe)Ph
- Article discussing aromatic C-H activation and catalytic hydrophenylation of ethylene by TpRu{P(OCH2)3CEt} (NCMe)Ph.
- Arylpalladium Phosphonate Complexes as Reactive Intermediates in Phosphorus-Carbon Bond Forming Reactions
- Article discussing research on arylpalladium phosphonate complexes as reactive intermediates in phosphorus-carbon bond forming reactions.
- Band Structure and Quantum Conductance of Nanostructures from Maximally Localized Wannier Functions: The Case of Functionalized Carbon Nanotubes
- Article on band structure and quantum conductance of nanostructures from maximally localized Wannier functions.
- Bonding and Structure of Copper Nitrenes
- Article discussing research on the bonding and structure of copper nitrenes.
- 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).
- Calculation of the Viscosity of Binary Liquids at Various Temperatures Using Jouyban-Acree Model
- Article discussing the calculation of the viscosity of binary liquids at various temperatures using Jouyban-Acree model.
- 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.
- Calculations Predict a Large Inverse H/D Kinetic Isotope Effect on the Rate of Tunneling in the Ring Opening of Cyclopropylcarbinyl Radical
- Article on calculations predicting a large inverse H/D kinetic isotope effect on the rate of tunneling in the ring opening of cyclopropylcarbinyl radical.
- Carbon-Hydrogen Bond Activation by Titanium Imido Complexes. Computational Evidence for the Role of Alkane Adducts in Selective C-H Activation
- This article reports calculations that probe the role of R (hydrocarbon) and R' (ligand substituent) effects on the reaction coordinate for C-H activation.
- Catalytic Synthesis of Arylisocyanates from Nitroaromatics. A Computational Study
- Article discussing a computational study on the catalytic synthesis of arylisocyanates from nitroaromatics.
- Catalytic Tuning of a Phosphinoethane Ligand for Enhanced C-H Activation
- Article discussing research on the catalytic tuning of a phosphinoethane ligand for enhanced C-H activation.
- Characterization of Room-Temperature Ionic Liquids by the Abraham Model with Cation-Specific and Anion-Specific Equation Coefficients
- Article on the characterization of room-temperature ionic liquids by the Abraham model with cation-specific and anion-specific equation coefficients.
- Characterization of the sorption of gaseous and organic solutes onto polydimethyl siloxane solid-phase microextraction surfaces using the Abraham model
- Article on the characterization of the sorption of gaseous and organic solutes onto polydimethyl siloxane solid-phase microextraction surfaces using the Abraham model.
- Chemical Toxicity Correlations for Several Fish Species Based on the Abraham Solvation Parameter Model
- Article on chemical toxicity correlations for several fish species based on the Abraham solvation parameter model.
- 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.
- Cluster Core-Level Binding-Energy Shifts: The Role of Lattice Strain
- Article discussing research on cluster core-level binding-energy shifts and the role of lattice strain.
- Cobalt-Dinitrogen Complexes with Weakened N-N Bonds
- Article discussing research on cobalt-dinitrogen complexes with weakened N-N bonds.
- Coinage Metal-Ethylene Complexes Supported by Tris(pyrazolyl)borates: A Computational Study
- Article discussing a computational study of coinage metal-ethylene complexes supported by tris(pyrazolyl)borates.
- Combined Experimental and Computational Studies on the Nature of Aromatic C-H Activation by Octahedral Ruthenium(II) Complexes: Evidence for σ-Bond Metathesis from Hammett Studies
- Article discussing combined experimental and computational studies on the nature of aromatic C-H activation by octahedral ruthenium(II) complexes of the type TpRu(L)(NCMe)R [Tp = hydridotris(pyrazolyl)borate; R = alkyl or aryl; L = CO or PMe3].
- Combined Experimental and Computational Study of TpRu{P(pyr)3} (NCMe)Me (pyr = N-pyrrolyl): Inter- and Intramolecular Activation of C-H Bonds and the Impact of Sterics on Catalytic Hydroarylation of Olefins
- This article discusses a combined experimental and computational study of TpRu{P(pyr)3} (NCMe)Me (pyr = N-pyrrolyl).
- Comment on "Systematic Investigation of the Sorption Properties of Polyurethane Foams for Organic Vapors"
- This article gives a comment to a previous article entitled "Systematic investigation of the sorption properties of polyurethane foams for organic vapors."
- Comments concerning the 'solubility of buckminsterfullerene in tetrahydrofuran, thiophene, tetrahydrothiophene, 1,2-dichlorobenzene, 1,2,4-trichlorobenzene and n-butylamine'
- Article commenting on the 'solubility of buckminsterfullerene in tetrahydrofuran, thiophene, tetrahydrothiophene, 1,2-dichlorobenzene, 1,2,4-trichlorobenzene and n-butylamine.'
- Comments on Solid-Liquid Phase Equilibrium and Phase Diagram for the Ternary o-Nitrobenzoic Acid + m-Nitrobenzoic Acid + Ethanol System
- Article commenting on a paper published in 2008 in the Journal of Chemical and Engineering Data discussing solid-liquid phase equilibrium and phase diagram for the ternary o-nitrobenzoic acid + m-nitrobenzoic acid + ethanol system.
- Comments on "Solubility of Ethyl Maltol in Aqueous Ethanol Mixtures" (Liu, B.-S.; Liu, R.-J.; Hu, Y.-Q.; Hu, Q.-F. J. Chem. Eng. Data 2008, 53, 2712-2714)
- This article provides comments on "Solubility of Ethyl Maltol in Aqueous Ethanol Mixtures," published in 2008 in the 'Journal of Chemical and Engineering Data.'
- 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.
- Comments on the paper entitled "Determination of the equilibrium constant for complex formation in a binary mixture of chloroform and triethylamine from viscosity data on the basis of the ideal associated solution model"
- Article commenting on the paper entitled "Determination of the equilibrium constant for complex formation in a binary mixture of chloroform and triethylamine from viscosity data on the basis of the idea associated solution model"
- Comments on "Thermophysical Properties of para-Anisaldehyde (1) + Chlorobenzene (2) at Temperatures of (303.15, 313.15, and 323.15) K and a Pressure of 0.1 MPa" (Baskaran, R.; Kubendran, T. R. J. Chem. Eng. Data 2008, 53, 978-982)
- Comments regarding the article, "Thermochemical properties of para-anisaldehyde (1) + chlorobenzene (2) at temperatures of (303.15, 313.15, and 323.15) K and a pressure of 0.1 MPa," published in 2008 in the Journal of Chemical and Engineering Data.
- Comparative Reactivity of TpRu(L)(NCMe)Ph (L = CO or PMe3): Impact of Ancillary Ligand L on Activation of Carbon-Hydrogen Bonds Including Catalytic Hydroarylation and Hydrovinylation/Oligomerization of Ethylene
- Article discussing research on the comparative reactivity of TpRu(L)(NCMe)Ph (L = CO or PMe3) and the impact of ancillary ligand L on activation of carbon-hydrogen bonds including catalytic hydroarylation and hyrdovinylation/oligomerization of ethylene.
- Composition of Epoxy Resin, Aliphatic Amine Curing Agent and Halogenated Amine
- Patent relating to the composition of epoxy resin, aliphatic amine curing agent and halogenated amine.
- 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.
- Computational Studies of the Thermochemistry of the Atmospheric Iodine Reservoirs HOI and IONO₂
- Book chapter discussing computational studies of the thermochemistry of the atmospheric iodine reservoirs HOI and IONO₂.
- A computational study of chlorofluoro-methyl radicals
- Article on a computational study of chlorofluoro-methyl radicals.
- Computational Study of Polarizabilities and Second Hyperpolarizabilities of Inorganic Transition Metal Thiometalates and Metalates in Solution
- This article discusses a computational study of polarizabilities and second hyperpolarizabilities of inorganic transition metal thiometalates and metalates in solution.
- 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.
- Conductor Structures Including Penetrable Materials
- Patent relating to conductors used in electronic components and related fabrication methods, and more particularly to metal conductors for use in electronic components created by deposition of metals and related fabrication methods.
- Conversions of Ruthenium (III) Alkyl Complexes to Ruthenium (II) through Ru-Calkyl Bond Homolysis
- This article discusses conversions of Ruthenium(III) alkyl complexes.
- Correlation and prediction of partition coefficient between the gas phase and water, and the solvents dry methyl acetate, dry and wet ethyl acetate, and dry and wet butyl acetate
- Article discussing research on the correlation and prediction of partition coefficient between the gas phase and water, and the solvents dry methyl acetate, dry and wet ethyl acetate, and dry and wet butyl acetate.
- Correlation and prediction of partition coefficients between the gas phase and water, and the solvents dodecane and undecane
- Article on the correlation and prediction of partition coefficients between the gas phase and water, and the solvents dodecane and undecane.
- Correlation and Prediction of Partition Coefficients from the Gas Phase and from Water to Alkan-1-ols
- Article discussing correlation and prediction of partition coefficients from the gas phase and from water to alkan-1-ols.
- Correlation and prediction of solute transfer to chloroalkanes from both water and the gas phase
- Article discussing research on the correlation and prediction of solute transfer to chloroalkanes from both water and the gas phase.
- 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.