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 Department: Chemistry
 Collection: UNT Scholarly Works
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). digital.library.unt.edu/ark:/67531/metadc77136/
[5,10,15,20-Tetrakis (4-methoxyphenyl)-porphyrinato] zinc dichloromethane disolvate
Article on 5,10,15,20-tetrakis(4-methoxyphenyl)-porphyrinato] zinc dichloromethane disolvate. digital.library.unt.edu/ark:/67531/metadc333041/
The 2011 Beta Eta Spring Banquet. Celebration of Rediscovery of the Elements
Article describing an Eta Beta celebration of the completion of James and Virginia Marshall's "Rediscovery of the Elements." Photographs from the event are included. Three separate articles appear on the right side of the page. digital.library.unt.edu/ark:/67531/metadc111260/
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. digital.library.unt.edu/ark:/67531/metadc270795/
Abraham model correlations for predicting gas-to-liquid partition coefficients and activity coefficients of organic solutes dissolved in 1-(2-methoxyethyl)-1-methylpyrrolidinium tris(pentafluoroethyl) trifluorophosphate
Article on Abraham model correlations for predicting gas-to-liquid partition coefficients and activity coefficients of organic solutes. digital.library.unt.edu/ark:/67531/metadc171455/
Abraham model correlations for solute partitioning into o-xylene, m-xylene and p-xylene from both water and the gas phase
Article on Abraham model correlations for solute partitioning into o-xylene, m-xylene and p-xylene from both water and the gas phase. digital.library.unt.edu/ark:/67531/metadc155635/
Abraham Model Correlations for Transfer of Neutral Molecules and Ions to Sulfolane
Article on Abraham model correlations for the transfer of neutral molecules and ions to sulfolane. digital.library.unt.edu/ark:/67531/metadc157293/
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). digital.library.unt.edu/ark:/67531/metadc77173/
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). digital.library.unt.edu/ark:/67531/metadc107767/
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. digital.library.unt.edu/ark:/67531/metadc77141/
Activation of water on the TiO2 (110) surface: The case of Ti adatoms
Article on the activation of water on the TiO2 (110) surface. digital.library.unt.edu/ark:/67531/metadc132989/
Activity Coefficients at Infinite Dilution for Organic Compounds Dissolved in 1-Alkyl-1-methylpyrrolidinium Bis(trifluoromethylsulfonyl)imide Ionic Liquids Having Six-, Eight-, and Ten-Carbon Alkyl Chains
Article on activity coefficients at infinite dilution for organic compounds dissolved in 1-alkyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide ionic liquids having six-, eight-, and ten-carbon alkyl chains. digital.library.unt.edu/ark:/67531/metadc174732/
Activity Coefficients at Infinite Dilution for Organic Solutes Dissolved in Three 1-Alkyl-1-methylpyrrolidinium Bis(trifluoromethylsulfonyl)imide Ionic Liquids Bearing Short Linear Alkyl Side Chains of Three to Five Carbons
Article discussing activity coefficients at infinite dilution for organic solutes dissolved in three 1-alkyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide ionic liquids bearing short linear alkyl side chains of three to five carbons. digital.library.unt.edu/ark:/67531/metadc179669/
Activity Coefficients at Infinite Dilution of Organic Compounds in Four New Imidazolium-Based Ionic Liquids
Article on activity coefficients at infinite dilution of organic compounds in four new imidazolium-based ionic liquids. digital.library.unt.edu/ark:/67531/metadc288010/
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. digital.library.unt.edu/ark:/67531/metadc304733/
Ad-dimers on Strained Carbon Nanotubes: A New Route for Quantum Dot Formation?
Article on ad-dimers on strained carbon nano-tubes. digital.library.unt.edu/ark:/67531/metadc270793/
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. digital.library.unt.edu/ark:/67531/metadc307096/
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. digital.library.unt.edu/ark:/67531/metadc406343/
Analysis of immobilized artificial membrane retention factors for both neutral and ionic species
Article on the analysis of immobilized artificial membrane retention factors for both neutral and ionic species. digital.library.unt.edu/ark:/67531/metadc171454/
The Antropoff Periodic Table found at UC Berkeley
Article discussing the Andreas von Antropoff Periodic Table found at the University of California at Berkeley. digital.library.unt.edu/ark:/67531/metadc306957/
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. digital.library.unt.edu/ark:/67531/metadc75422/
Applications of Hydrogen Gas Getters in Mass Spectrometry
Patent relating to applications of hydrogen gas getters in mass spectrometry. digital.library.unt.edu/ark:/67531/metadc307087/
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. digital.library.unt.edu/ark:/67531/metadc77190/
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. digital.library.unt.edu/ark:/67531/metadc77191/
ASPARTATE 458 of Human Glutathione Synthetase is Important for Cooperativity and Active Site Structure
Article discussing ASPARTATE 458 of human glutathione synthetase. digital.library.unt.edu/ark:/67531/metadc181678/
Band Engineering and Magnetic Doping of Epitaxial Graphene on SiC (0001)
Article on band engineering and magnetic doping of epitaxial graphene on SiC (0001). digital.library.unt.edu/ark:/67531/metadc270779/
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. digital.library.unt.edu/ark:/67531/metadc270801/
Benzo[ghi]perylene versus Pyrene as Solute Probes for Polarity Determination of Liquid Organic Salts Used in Chromatography
Article on benzo[ghi]perylene versus pyrene as solute probes for polarity determination of liquid organic salts used in chromatography. digital.library.unt.edu/ark:/67531/metadc406349/
Beyond platinum: synthesis, characterization, and in vitro toxicity of Cu(II)-releasing polymer nanoparticles for potential use as a drug delivery vector
Article on synthesis, characterization, and in vitro toxicity of Cu(II)-releasing polymer nanoparticles for potential use as a drug delivery vector. digital.library.unt.edu/ark:/67531/metadc287072/
Bilinear Regression Analysis as a Means to Reduce Matrix Effects in Simultaneous Spectrophotometric Determination of Cr(III) and Co(II): A Quantitative Analysis Laboratory Experiment
Article on bilinear regression analysis as a means to reduce matrix effects in simultaneous spectrophotometric determination of Cr(III) and Co(II) and a quantitative analysis laboratory experiment. digital.library.unt.edu/ark:/67531/metadc406364/
Binder Enhanced Refuse Derived Fuel
Patent relating to refuse derived fuels and more particularly to binder enhanced refuse derived fuel pellets and utilization of such pellets in solid-fuel fired furnaces. digital.library.unt.edu/ark:/67531/metadc303221/
Biocompatible Graphene-based Growth of Cancer Cells: A Work in Progress
Poster presented at the 2012 University Scholars Day at UNT. This poster discusses research on the biocompatible graphene-based growth of cancer cells. Graphene is made of a single layer of carbon atoms. Recently is has been used to successfully differentiate stem cells in neural cells. digital.library.unt.edu/ark:/67531/metadc86832/
The Biological and Toxicological Activity of Gases and Vapors
Article discussing research on the biological and toxicological activity of gases and vapors. digital.library.unt.edu/ark:/67531/metadc152441/
Bonding and Structure of Copper Nitrenes
Article discussing research on the bonding and structure of copper nitrenes. digital.library.unt.edu/ark:/67531/metadc77132/
Brittle and Ductile Behavior in Carbon Nanotubes
Article discussing research on the response of carbon nanotubes to a tensile load. digital.library.unt.edu/ark:/67531/metadc270780/
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). digital.library.unt.edu/ark:/67531/metadc75425/
C H Bond Activation of Methane by Ptᴵᴵ N-Heterocyclic Carbene Complexes: The Importance of Having the Ligands in the Right Place at the Right Time
Article discussing C H bond activation of methane by Ptᴵᴵ N-Heterocyclic carbene complexes. digital.library.unt.edu/ark:/67531/metadc181679/
C-H Functionalization Reactivity of a Nickel-Imide
This article discusses C-H functionalization reactivity of a Nickel-Imide. digital.library.unt.edu/ark:/67531/metadc107790/
Calculation of a Methane C-H Oxidative Addition Trajectory: Comparison to Experiment and Methane Activation by High-Valent Complexes
Article discussing research on the calculation of methane C-H oxidative addition trajectory and a comparison to experiment and methane activation by high-valent complexes. digital.library.unt.edu/ark:/67531/metadc107777/
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. digital.library.unt.edu/ark:/67531/metadc303225/
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. digital.library.unt.edu/ark:/67531/metadc71812/
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. digital.library.unt.edu/ark:/67531/metadc71808/
Calculations Predict That Carbon Tunneling Allows the Degenerate Cope Rearrangement of Semibullvalene to Occur Rapidly at Cryogenic Temperatures
Article on calculations predicting that carbon tunneling allows the degenerate cope rearrangement of semibullvalene to occur rapidly at cryogenic temperatures. digital.library.unt.edu/ark:/67531/metadc71814/
Carbon Dioxide Migration Pathways in Proteins
Article discussing research on carbon dioxide migration pathways in proteins. digital.library.unt.edu/ark:/67531/metadc179689/
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. digital.library.unt.edu/ark:/67531/metadc107781/
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. digital.library.unt.edu/ark:/67531/metadc107789/
Catalytic Synthesis of Arylisocyanates from Nitroaromatics. A Computational Study
Article discussing a computational study on the catalytic synthesis of arylisocyanates from nitroaromatics. digital.library.unt.edu/ark:/67531/metadc77188/
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. digital.library.unt.edu/ark:/67531/metadc77145/
Cation-specific and anion-specific Abraham model correlations for solute transfer into ionic liquid solvents
Article discussing research on cation-specific and anion-specific Abraham model correlations for solute transfer into ionic liquid solvents. digital.library.unt.edu/ark:/67531/metadc152450/
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. digital.library.unt.edu/ark:/67531/metadc335282/
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