Latest content added for UNT Digital Library Partner: UNT College of Arts and Scienceshttps://digital.library.unt.edu/explore/partners/UNTCAS/browse/?sort=added_a&start=602012-03-02T11:47:25-06:00UNT LibrariesThis is a custom feed for browsing UNT Digital Library Partner: UNT College of Arts and SciencesVortex Dynamics in Evolutive Flows: A Weakly Chaotic Phenomenon2011-11-24T00:20:09-06:00https://digital.library.unt.edu/ark:/67531/metadc67634/<p><a href="https://digital.library.unt.edu/ark:/67531/metadc67634/"><img alt="Vortex Dynamics in Evolutive Flows: A Weakly Chaotic Phenomenon" title="Vortex Dynamics in Evolutive Flows: A Weakly Chaotic Phenomenon" src="https://digital.library.unt.edu/ark:/67531/metadc67634/small/"/></a></p><p>In this article, the authors make use of a wavelet method to extract, from experimental velocity signals obtained in an evolutive flow, the dominating velocity components generated by vortex dynamics.</p>Generalized Master Equation Via Aging Continuous-Time Random Walks2011-11-24T00:20:09-06:00https://digital.library.unt.edu/ark:/67531/metadc67635/<p><a href="https://digital.library.unt.edu/ark:/67531/metadc67635/"><img alt="Generalized Master Equation Via Aging Continuous-Time Random Walks" title="Generalized Master Equation Via Aging Continuous-Time Random Walks" src="https://digital.library.unt.edu/ark:/67531/metadc67635/small/"/></a></p><p>This article discusses the problem of the equivalence between continuous-time random walk (CTRW) and generalized master equation (GME).</p>Lévy Scaling: The Diffusion Entropy Analysis Applied to DNA Sequences2011-11-24T00:20:09-06:00https://digital.library.unt.edu/ark:/67531/metadc67631/<p><a href="https://digital.library.unt.edu/ark:/67531/metadc67631/"><img alt="Lévy Scaling: The Diffusion Entropy Analysis Applied to DNA Sequences" title="Lévy Scaling: The Diffusion Entropy Analysis Applied to DNA Sequences" src="https://digital.library.unt.edu/ark:/67531/metadc67631/small/"/></a></p><p>Article on Lévy scaling and the diffusion entropy analysis applied to DNA sequences. The authors address the problem of the statistical analysis of a time series generated by complex dynamics with the diffusion entropy analysis.</p>Are Net Discount Ratios Stationary?: The Implications For Present Value Calculations2012-01-31T10:30:50-06:00https://digital.library.unt.edu/ark:/67531/metadc71790/<p><a href="https://digital.library.unt.edu/ark:/67531/metadc71790/"><img alt="Are Net Discount Ratios Stationary?: The Implications For Present Value Calculations" title="Are Net Discount Ratios Stationary?: The Implications For Present Value Calculations" src="https://digital.library.unt.edu/ark:/67531/metadc71790/small/"/></a></p><p>Article discussing research analyzing the relationship between real interest rates and real growth rates in wages.</p>Calculating Changes in Worklife Expectancies and Lost Earnings in Personal Injury Cases2012-01-31T10:30:50-06:00https://digital.library.unt.edu/ark:/67531/metadc71789/<p><a href="https://digital.library.unt.edu/ark:/67531/metadc71789/"><img alt="Calculating Changes in Worklife Expectancies and Lost Earnings in Personal Injury Cases" title="Calculating Changes in Worklife Expectancies and Lost Earnings in Personal Injury Cases" src="https://digital.library.unt.edu/ark:/67531/metadc71789/small/"/></a></p><p>Article discussing research on the estimated effect of an injury on a worker's life expectancy, worklife expectancy and discounted expected income.</p>Are Net Discount Rates Stationary?: Some Further Evidence2012-01-31T10:30:50-06:00https://digital.library.unt.edu/ark:/67531/metadc71791/<p><a href="https://digital.library.unt.edu/ark:/67531/metadc71791/"><img alt="Are Net Discount Rates Stationary?: Some Further Evidence" title="Are Net Discount Rates Stationary?: Some Further Evidence" src="https://digital.library.unt.edu/ark:/67531/metadc71791/small/"/></a></p><p>Article discussing research suggesting that the net discount ration experienced a level shift in the mean between 1977 and 1981 and the resulting possible affects.</p>Calculations Predict a Large Inverse H/D Kinetic Isotope Effect on the Rate of Tunneling in the Ring Opening of Cyclopropylcarbinyl Radical2012-01-31T10:30:50-06:00https://digital.library.unt.edu/ark:/67531/metadc71808/<p><a href="https://digital.library.unt.edu/ark:/67531/metadc71808/"><img alt="Calculations Predict a Large Inverse H/D Kinetic Isotope Effect on the Rate of Tunneling in the Ring Opening of Cyclopropylcarbinyl Radical" title="Calculations Predict a Large Inverse H/D Kinetic Isotope Effect on the Rate of Tunneling in the Ring Opening of Cyclopropylcarbinyl Radical" src="https://digital.library.unt.edu/ark:/67531/metadc71808/small/"/></a></p><p>Article on calculations predicting a large inverse H/D kinetic isotope effect on the rate of tunneling in the ring opening of cyclopropylcarbinyl radical.</p>Through-Bond Interactions in the Diradical Intermediates Formed in the Rearrangements of Bicyclo[n.m.0]alkatetraenes2012-01-31T10:30:50-06:00https://digital.library.unt.edu/ark:/67531/metadc71806/<p><a href="https://digital.library.unt.edu/ark:/67531/metadc71806/"><img alt="Through-Bond Interactions in the Diradical Intermediates Formed in the Rearrangements of Bicyclo[n.m.0]alkatetraenes" title="Through-Bond Interactions in the Diradical Intermediates Formed in the Rearrangements of Bicyclo[n.m.0]alkatetraenes" src="https://digital.library.unt.edu/ark:/67531/metadc71806/small/"/></a></p><p>Article on through-bond interactions in the diradical intermediates formed in the rearrangements of bicyclo[n.m.0]alkatetraenes.</p>Current Applications of Computational Chemistry in JACS - Molecules, Mechanisms, and Materials2012-01-31T10:30:50-06:00https://digital.library.unt.edu/ark:/67531/metadc71807/<p><a href="https://digital.library.unt.edu/ark:/67531/metadc71807/"><img alt="Current Applications of Computational Chemistry in JACS - Molecules, Mechanisms, and Materials" title="Current Applications of Computational Chemistry in JACS - Molecules, Mechanisms, and Materials" src="https://digital.library.unt.edu/ark:/67531/metadc71807/small/"/></a></p><p>Article discussing molecules, mechanisms, and materials and current applications of computational chemistry in the Journal of the American Chemical Society (JACS).</p>Experimental Evidence for Heavy-Atom Tunneling in the Ring-Opening of Cyclopropylcarbinyl Radical from Intramolecular 12C/13C Kinetic Isotope Effects2012-01-31T10:30:50-06:00https://digital.library.unt.edu/ark:/67531/metadc71805/<p><a href="https://digital.library.unt.edu/ark:/67531/metadc71805/"><img alt="Experimental Evidence for Heavy-Atom Tunneling in the Ring-Opening of Cyclopropylcarbinyl Radical from Intramolecular 12C/13C Kinetic Isotope Effects" title="Experimental Evidence for Heavy-Atom Tunneling in the Ring-Opening of Cyclopropylcarbinyl Radical from Intramolecular 12C/13C Kinetic Isotope Effects" src="https://digital.library.unt.edu/ark:/67531/metadc71805/small/"/></a></p><p>Article on experimental evidence for heavy-atom tunneling in the ring-opening of cyclopropylcarbinyl radical from intramolecular 12C/13C kinetic isotope effects.</p>First-Principles-Based Kinetic Monte Carlo Simulation of Nitric Oxide Reduction over Platinum Nanoparticles under Lean-Burn Conditions2012-01-31T10:30:50-06:00https://digital.library.unt.edu/ark:/67531/metadc71804/<p><a href="https://digital.library.unt.edu/ark:/67531/metadc71804/"><img alt="First-Principles-Based Kinetic Monte Carlo Simulation of Nitric Oxide Reduction over Platinum Nanoparticles under Lean-Burn Conditions" title="First-Principles-Based Kinetic Monte Carlo Simulation of Nitric Oxide Reduction over Platinum Nanoparticles under Lean-Burn Conditions" src="https://digital.library.unt.edu/ark:/67531/metadc71804/small/"/></a></p><p>This article discusses first-principles-based kinetic Monte Carlo simulation of Nitric Oxide reduction.</p>Current Behavioral and Psychosocial Interventions for HIV/AIDS2012-01-31T10:30:50-06:00https://digital.library.unt.edu/ark:/67531/metadc71782/<p><a href="https://digital.library.unt.edu/ark:/67531/metadc71782/"><img alt="Current Behavioral and Psychosocial Interventions for HIV/AIDS" title="Current Behavioral and Psychosocial Interventions for HIV/AIDS" src="https://digital.library.unt.edu/ark:/67531/metadc71782/small/"/></a></p><p>This presentation is part of the faculty lecture series UNT Speaks Out on AIDS. This presentation discusses recent directions in psychosocial research on HIV/AIDS in the United States.</p>Effects of Geminal Methyl Groups on the Tunnelling Rates in the Ring Opening of Cyclopropylcarbinyl Radical at Cryogenic Temperature2012-01-31T10:30:50-06:00https://digital.library.unt.edu/ark:/67531/metadc71802/<p><a href="https://digital.library.unt.edu/ark:/67531/metadc71802/"><img alt="Effects of Geminal Methyl Groups on the Tunnelling Rates in the Ring Opening of Cyclopropylcarbinyl Radical at Cryogenic Temperature" title="Effects of Geminal Methyl Groups on the Tunnelling Rates in the Ring Opening of Cyclopropylcarbinyl Radical at Cryogenic Temperature" src="https://digital.library.unt.edu/ark:/67531/metadc71802/small/"/></a></p><p>Article on the effects of geminal methyl groups on the tunnelling rates in the ring opening of cyclopropylcarbinyl radical at cryogenic temperature.</p>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 Atoms2012-01-31T10:30:50-06:00https://digital.library.unt.edu/ark:/67531/metadc71813/<p><a href="https://digital.library.unt.edu/ark:/67531/metadc71813/"><img alt="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" title="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" src="https://digital.library.unt.edu/ark:/67531/metadc71813/small/"/></a></p><p>Article on cyclooctatetraenes tetrakis-annelated with α-dithio- or α-diselenocarbonyl groups.</p>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)42012-01-31T10:30:50-06:00https://digital.library.unt.edu/ark:/67531/metadc71812/<p><a href="https://digital.library.unt.edu/ark:/67531/metadc71812/"><img alt="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" title="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" src="https://digital.library.unt.edu/ark:/67531/metadc71812/small/"/></a></p><p>Article on a proposed experimental test of the prediction of a triplet ground state for (CO)4.</p>Photoelectron Spectroscopic Study of the Oxyallyl Diradical2012-01-31T10:30:50-06:00https://digital.library.unt.edu/ark:/67531/metadc71811/<p><a href="https://digital.library.unt.edu/ark:/67531/metadc71811/"><img alt="Photoelectron Spectroscopic Study of the Oxyallyl Diradical" title="Photoelectron Spectroscopic Study of the Oxyallyl Diradical" src="https://digital.library.unt.edu/ark:/67531/metadc71811/small/"/></a></p><p>Article on a photoelectron spectroscopic study of the oxyallyl diradical.</p>Templated Growth of Hexagonal Nickel Carbide Nanocrystals on Vertically Aligned Carbon Nanotubes2012-01-31T10:30:50-06:00https://digital.library.unt.edu/ark:/67531/metadc71810/<p><a href="https://digital.library.unt.edu/ark:/67531/metadc71810/"><img alt="Templated Growth of Hexagonal Nickel Carbide Nanocrystals on Vertically Aligned Carbon Nanotubes" title="Templated Growth of Hexagonal Nickel Carbide Nanocrystals on Vertically Aligned Carbon Nanotubes" src="https://digital.library.unt.edu/ark:/67531/metadc71810/small/"/></a></p><p>Article discussing the templated growth of hexagonal nickel carbon nanocrystals on vertically aligned carbon nanotubes.</p>Cooperative Effects in the Annelation of Benzene by Multiple Etheno Groups2012-01-31T10:30:50-06:00https://digital.library.unt.edu/ark:/67531/metadc71793/<p><a href="https://digital.library.unt.edu/ark:/67531/metadc71793/"><img alt="Cooperative Effects in the Annelation of Benzene by Multiple Etheno Groups" title="Cooperative Effects in the Annelation of Benzene by Multiple Etheno Groups" src="https://digital.library.unt.edu/ark:/67531/metadc71793/small/"/></a></p><p>Article on cooperative effects in the annelation of benzene by multiple etheno groups.</p>Urban Water Demand Estimates Under Increasing Block Rates2012-01-31T10:30:50-06:00https://digital.library.unt.edu/ark:/67531/metadc71792/<p><a href="https://digital.library.unt.edu/ark:/67531/metadc71792/"><img alt="Urban Water Demand Estimates Under Increasing Block Rates" title="Urban Water Demand Estimates Under Increasing Block Rates" src="https://digital.library.unt.edu/ark:/67531/metadc71792/small/"/></a></p><p>This article discusses urban water demand estimates under increasing block rates.</p>Geographic Distribution of HIV/AIDS in Texas2012-01-31T10:30:50-06:00https://digital.library.unt.edu/ark:/67531/metadc71783/<p><a href="https://digital.library.unt.edu/ark:/67531/metadc71783/"><img alt="Geographic Distribution of HIV/AIDS in Texas" title="Geographic Distribution of HIV/AIDS in Texas" src="https://digital.library.unt.edu/ark:/67531/metadc71783/small/"/></a></p><p>This presentation is part of the faculty lecture series UNT Speaks Out on HIV/AIDS. This presentation discusses the geographic distribution of HIV/AIDS in Texas and the associated factors.</p>With a Little Help from My Friends: Forty Years of Fruitful Chemical Collaborations2012-01-31T10:30:50-06:00https://digital.library.unt.edu/ark:/67531/metadc71809/<p><a href="https://digital.library.unt.edu/ark:/67531/metadc71809/"><img alt="With a Little Help from My Friends: Forty Years of Fruitful Chemical Collaborations" title="With a Little Help from My Friends: Forty Years of Fruitful Chemical Collaborations" src="https://digital.library.unt.edu/ark:/67531/metadc71809/small/"/></a></p><p>Article discussing forty years of fruitful chemical collaborations and the author's perspective on collaborative research in eight different areas of organic and theoretical chemistry.</p>Input Substitution in Irrigated Agriculture in the High Plains of Texas, 1970-802012-01-31T10:30:50-06:00https://digital.library.unt.edu/ark:/67531/metadc71788/<p><a href="https://digital.library.unt.edu/ark:/67531/metadc71788/"><img alt="Input Substitution in Irrigated Agriculture in the High Plains of Texas, 1970-80" title="Input Substitution in Irrigated Agriculture in the High Plains of Texas, 1970-80" src="https://digital.library.unt.edu/ark:/67531/metadc71788/small/"/></a></p><p>This article discusses input substitution in irrigated agriculture in the high plains of Texas.</p>Calculations Predict That Carbon Tunneling Allows the Degenerate Cope Rearrangement of Semibullvalene to Occur Rapidly at Cryogenic Temperatures2012-01-31T10:30:50-06:00https://digital.library.unt.edu/ark:/67531/metadc71814/<p><a href="https://digital.library.unt.edu/ark:/67531/metadc71814/"><img alt="Calculations Predict That Carbon Tunneling Allows the Degenerate Cope Rearrangement of Semibullvalene to Occur Rapidly at Cryogenic Temperatures" title="Calculations Predict That Carbon Tunneling Allows the Degenerate Cope Rearrangement of Semibullvalene to Occur Rapidly at Cryogenic Temperatures" src="https://digital.library.unt.edu/ark:/67531/metadc71814/small/"/></a></p><p>Article on calculations predicting that carbon tunneling allows the degenerate cope rearrangement of semibullvalene to occur rapidly at cryogenic temperatures.</p>Experimental and Computational Studies of the Isomerization Reactions of Bidentate Phosphine Ligands in Triosmium Clusters: Kinetics of the Rearrangements from Bridged to Chelated Isomers and X-ray Structures of the Clusters Os3 (CO)10 (dppbz), 1,1-Os3 (CO)10 (dppbzF4), HOs3 (CO)9 [μ -1,2-PhP (C6H4-ɳ1) C6H4PPh2], and HOs3 (CO)9- [μ-1,2-PhP (C6H4-ɳ 1) C6F4PPh2]2012-01-31T10:30:50-06:00https://digital.library.unt.edu/ark:/67531/metadc71815/<p><a href="https://digital.library.unt.edu/ark:/67531/metadc71815/"><img alt="Experimental and Computational Studies of the Isomerization Reactions of Bidentate Phosphine Ligands in Triosmium Clusters: Kinetics of the Rearrangements from Bridged to Chelated Isomers and X-ray Structures of the Clusters Os3 (CO)10 (dppbz), 1,1-Os3 (CO)10 (dppbzF4), HOs3 (CO)9 [μ -1,2-PhP (C6H4-ɳ1) C6H4PPh2], and HOs3 (CO)9- [μ-1,2-PhP (C6H4-ɳ 1) C6F4PPh2]" title="Experimental and Computational Studies of the Isomerization Reactions of Bidentate Phosphine Ligands in Triosmium Clusters: Kinetics of the Rearrangements from Bridged to Chelated Isomers and X-ray Structures of the Clusters Os3 (CO)10 (dppbz), 1,1-Os3 (CO)10 (dppbzF4), HOs3 (CO)9 [μ -1,2-PhP (C6H4-ɳ1) C6H4PPh2], and HOs3 (CO)9- [μ-1,2-PhP (C6H4-ɳ 1) C6F4PPh2]" src="https://digital.library.unt.edu/ark:/67531/metadc71815/small/"/></a></p><p>Article on experimental and computational studies of the isomerization reactions of bidentate phosphine ligands in triosmium clusters.</p>Fractional Brownian motion as a nonstationary process: An alternative paradigm for DNA sequences2012-02-13T14:23:11-06:00https://digital.library.unt.edu/ark:/67531/metadc75416/<p><a href="https://digital.library.unt.edu/ark:/67531/metadc75416/"><img alt="Fractional Brownian motion as a nonstationary process: An alternative paradigm for DNA sequences" title="Fractional Brownian motion as a nonstationary process: An alternative paradigm for DNA sequences" src="https://digital.library.unt.edu/ark:/67531/metadc75416/small/"/></a></p><p>Article discussing the fractional Brownian motion (FBM) as a nonstationary process and an alternative paradigm for DNA sequences.</p>Anomalous diffusion and ballistic peaks: A quantum perspective2012-02-13T14:23:11-06:00https://digital.library.unt.edu/ark:/67531/metadc75417/<p><a href="https://digital.library.unt.edu/ark:/67531/metadc75417/"><img alt="Anomalous diffusion and ballistic peaks: A quantum perspective" title="Anomalous diffusion and ballistic peaks: A quantum perspective" src="https://digital.library.unt.edu/ark:/67531/metadc75417/small/"/></a></p><p>Article discussing research on anomalous diffusion and ballistic peaks.</p>Non-Gaussian statistics of anomalous diffusion: The DNA sequences of prokaryotes2012-02-13T14:23:11-06:00https://digital.library.unt.edu/ark:/67531/metadc75418/<p><a href="https://digital.library.unt.edu/ark:/67531/metadc75418/"><img alt="Non-Gaussian statistics of anomalous diffusion: The DNA sequences of prokaryotes" title="Non-Gaussian statistics of anomalous diffusion: The DNA sequences of prokaryotes" src="https://digital.library.unt.edu/ark:/67531/metadc75418/small/"/></a></p><p>This article discusses a non-Gaussian indicator to measure the deviation from Gaussian statistics of a diffusion process generated by dichotomous fluctuations with infinite memory.</p>The correlation consistent composite approach (ccCA): An alternative to the Gaussian-n methods2012-02-13T14:23:11-06:00https://digital.library.unt.edu/ark:/67531/metadc75421/<p><a href="https://digital.library.unt.edu/ark:/67531/metadc75421/"><img alt="The correlation consistent composite approach (ccCA): An alternative to the Gaussian-n methods" title="The correlation consistent composite approach (ccCA): An alternative to the Gaussian-n methods" src="https://digital.library.unt.edu/ark:/67531/metadc75421/small/"/></a></p><p>Article discussing research on the correlation consistent composite approach (ccCA) and an alternative to the Gaussian-n methods.</p>The correlation-consistent composite approach: Application to the G3/99 test set2012-02-13T14:23:11-06:00https://digital.library.unt.edu/ark:/67531/metadc75420/<p><a href="https://digital.library.unt.edu/ark:/67531/metadc75420/"><img alt="The correlation-consistent composite approach: Application to the G3/99 test set" title="The correlation-consistent composite approach: Application to the G3/99 test set" src="https://digital.library.unt.edu/ark:/67531/metadc75420/small/"/></a></p><p>Article discussing research on the correlation consistent composite approach (ccCA) and an application to the G3/99 test set.</p>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)2012-02-13T14:23:11-06:00https://digital.library.unt.edu/ark:/67531/metadc75425/<p><a href="https://digital.library.unt.edu/ark:/67531/metadc75425/"><img alt="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)" title="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)" src="https://digital.library.unt.edu/ark:/67531/metadc75425/small/"/></a></p><p>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).</p>Low-Coordinate Chromium Siloxides: The "Box" [Cr(μ-OSitBu3)]4, Distorted Trigonal [(tBu3SiO)3Cr] [Na(benzene)] and [(tBu3SiO)3Cr] [Na(dibenzo-18-c-6)], and Trigonal (tBu3SiO)3Cr2012-02-13T14:23:11-06:00https://digital.library.unt.edu/ark:/67531/metadc75423/<p><a href="https://digital.library.unt.edu/ark:/67531/metadc75423/"><img alt="Low-Coordinate Chromium Siloxides: The "Box" [Cr(μ-OSitBu3)]4, Distorted Trigonal [(tBu3SiO)3Cr] [Na(benzene)] and [(tBu3SiO)3Cr] [Na(dibenzo-18-c-6)], and Trigonal (tBu3SiO)3Cr" title="Low-Coordinate Chromium Siloxides: The "Box" [Cr(μ-OSitBu3)]4, Distorted Trigonal [(tBu3SiO)3Cr] [Na(benzene)] and [(tBu3SiO)3Cr] [Na(dibenzo-18-c-6)], and Trigonal (tBu3SiO)3Cr" src="https://digital.library.unt.edu/ark:/67531/metadc75423/small/"/></a></p><p>Article discussing low-coordinate chromium siloxides and the "box" [Cr(μ-Cl)(μ-OSiᵗBu₃)]₄, distorted trigonal [(ᵗBu₃SiO)₃Cr][Na(benzene)] and [(ᵗBu₃SiO)₃Cr][Na(dibenzo-18-c-6)], and trigonal (ᵗBu₃SiO)₃Cr.</p>Synthesis of the Five-Coordinate Ruthenium (II) Complexes [(PCP)Ru(CO)(L)][BAr'4] {PCP = 2,6-(CH2PtBu2)2 C6H3, BAr'4 = 3,5-(CF3)2C6H3, L= ɳ1-CICH2CI, ɳ 1-N2, or μ-Cl-Ru(PCP)(CO)}: Reactions with Phenyldiazomethane and Phenylacetylene2012-02-13T14:23:11-06:00https://digital.library.unt.edu/ark:/67531/metadc75424/<p><a href="https://digital.library.unt.edu/ark:/67531/metadc75424/"><img alt="Synthesis of the Five-Coordinate Ruthenium (II) Complexes [(PCP)Ru(CO)(L)][BAr'4] {PCP = 2,6-(CH2PtBu2)2 C6H3, BAr'4 = 3,5-(CF3)2C6H3, L= ɳ1-CICH2CI, ɳ 1-N2, or μ-Cl-Ru(PCP)(CO)}: Reactions with Phenyldiazomethane and Phenylacetylene" title="Synthesis of the Five-Coordinate Ruthenium (II) Complexes [(PCP)Ru(CO)(L)][BAr'4] {PCP = 2,6-(CH2PtBu2)2 C6H3, BAr'4 = 3,5-(CF3)2C6H3, L= ɳ1-CICH2CI, ɳ 1-N2, or μ-Cl-Ru(PCP)(CO)}: Reactions with Phenyldiazomethane and Phenylacetylene" src="https://digital.library.unt.edu/ark:/67531/metadc75424/small/"/></a></p><p>Article discussing the synthesis of the five-coordinate ruthenium (II) complexes and reactions with phenyldiazomethane and phenylacetylene.</p>Function of Conserved Residues of Human Glutathione Synthetase: Implications for the ATP-grasp Enzymes2012-02-13T14:23:11-06:00https://digital.library.unt.edu/ark:/67531/metadc75414/<p><a href="https://digital.library.unt.edu/ark:/67531/metadc75414/"><img alt="Function of Conserved Residues of Human Glutathione Synthetase: Implications for the ATP-grasp Enzymes" title="Function of Conserved Residues of Human Glutathione Synthetase: Implications for the ATP-grasp Enzymes" src="https://digital.library.unt.edu/ark:/67531/metadc75414/small/"/></a></p><p>This article discusses human glutathione synthetase, an enzyme that belongs to the glutathione synthetase ATP-binding domain-like superfamily.</p>Application of the Correlation Consistent Composite Approach (ccCA) to Third-Row (Ga-Kr) Molecules2012-02-13T14:23:11-06:00https://digital.library.unt.edu/ark:/67531/metadc75422/<p><a href="https://digital.library.unt.edu/ark:/67531/metadc75422/"><img alt="Application of the Correlation Consistent Composite Approach (ccCA) to Third-Row (Ga-Kr) Molecules" title="Application of the Correlation Consistent Composite Approach (ccCA) to Third-Row (Ga-Kr) Molecules" src="https://digital.library.unt.edu/ark:/67531/metadc75422/small/"/></a></p><p>Article on the application of the correlation consistent composite approach (ccCA) to third-row (Ga-Kr) molecules.</p>Stability Studies of Transition-Metal Linkage Isomers Using Quantum Mechanical Methods, Groups 11 and 12 Transition Metals2012-02-13T14:23:11-06:00https://digital.library.unt.edu/ark:/67531/metadc75419/<p><a href="https://digital.library.unt.edu/ark:/67531/metadc75419/"><img alt="Stability Studies of Transition-Metal Linkage Isomers Using Quantum Mechanical Methods, Groups 11 and 12 Transition Metals" title="Stability Studies of Transition-Metal Linkage Isomers Using Quantum Mechanical Methods, Groups 11 and 12 Transition Metals" src="https://digital.library.unt.edu/ark:/67531/metadc75419/small/"/></a></p><p>Article discussing the stability studies of transition-metal linkage isomers using quantum mechanical methods and groups 11 and 12 transition metals.</p>Tunneling rate fluctuations induced by nonlinear resonances: A quantitative treatment based on semiclassical arguments2012-03-02T11:47:25-06:00https://digital.library.unt.edu/ark:/67531/metadc77120/<p><a href="https://digital.library.unt.edu/ark:/67531/metadc77120/"><img alt="Tunneling rate fluctuations induced by nonlinear resonances: A quantitative treatment based on semiclassical arguments" title="Tunneling rate fluctuations induced by nonlinear resonances: A quantitative treatment based on semiclassical arguments" src="https://digital.library.unt.edu/ark:/67531/metadc77120/small/"/></a></p><p>This article discusses tunneling rate fluctuations induced by nonlinear resonances. The authors investigate the tunneling process between two symmetric stable islands of a forced pendulum Hamiltonian in the weak chaos regime.</p>Fractional calculus as a macroscopic manifestation of randomness2012-03-02T11:47:25-06:00https://digital.library.unt.edu/ark:/67531/metadc77121/<p><a href="https://digital.library.unt.edu/ark:/67531/metadc77121/"><img alt="Fractional calculus as a macroscopic manifestation of randomness" title="Fractional calculus as a macroscopic manifestation of randomness" src="https://digital.library.unt.edu/ark:/67531/metadc77121/small/"/></a></p><p>Article discussing fractional calculus as a macroscopic manifestation of randomness.</p>Olefin Substitution in (silox)3M(olefin) (silox = tBu3SiO; M = Nb, Ta): The Role of Density of States in Second vs Third Row Transition Metal Reactivity2012-03-02T11:47:25-06:00https://digital.library.unt.edu/ark:/67531/metadc77142/<p><a href="https://digital.library.unt.edu/ark:/67531/metadc77142/"><img alt="Olefin Substitution in (silox)3M(olefin) (silox = tBu3SiO; M = Nb, Ta): The Role of Density of States in Second vs Third Row Transition Metal Reactivity" title="Olefin Substitution in (silox)3M(olefin) (silox = tBu3SiO; M = Nb, Ta): The Role of Density of States in Second vs Third Row Transition Metal Reactivity" src="https://digital.library.unt.edu/ark:/67531/metadc77142/small/"/></a></p><p>This article discusses the role of density of states in second vs third row transition metal reactivity.</p>Low Coordinate, Monomeric Molybdenum and Tungsten(III) Complexes: Structure, Reactivity and Calculational Studies of (silox)3Mo and (silox)3ML (M = Mo, W; L = PMe3, CO; silox = tBu3SiO)2012-03-02T11:47:25-06:00https://digital.library.unt.edu/ark:/67531/metadc77144/<p><a href="https://digital.library.unt.edu/ark:/67531/metadc77144/"><img alt="Low Coordinate, Monomeric Molybdenum and Tungsten(III) Complexes: Structure, Reactivity and Calculational Studies of (silox)3Mo and (silox)3ML (M = Mo, W; L = PMe3, CO; silox = tBu3SiO)" title="Low Coordinate, Monomeric Molybdenum and Tungsten(III) Complexes: Structure, Reactivity and Calculational Studies of (silox)3Mo and (silox)3ML (M = Mo, W; L = PMe3, CO; silox = tBu3SiO)" src="https://digital.library.unt.edu/ark:/67531/metadc77144/small/"/></a></p><p>This article discusses low coordinate, monomeric molybdenum and tungsten(III) complexes.</p>Catalytic Tuning of a Phosphinoethane Ligand for Enhanced C-H Activation2012-03-02T11:47:25-06:00https://digital.library.unt.edu/ark:/67531/metadc77145/<p><a href="https://digital.library.unt.edu/ark:/67531/metadc77145/"><img alt="Catalytic Tuning of a Phosphinoethane Ligand for Enhanced C-H Activation" title="Catalytic Tuning of a Phosphinoethane Ligand for Enhanced C-H Activation" src="https://digital.library.unt.edu/ark:/67531/metadc77145/small/"/></a></p><p>Article discussing research on the catalytic tuning of a phosphinoethane ligand for enhanced C-H activation.</p>Unusual Electronic Features and Reactivity of the Dipyridylazaallyl Ligand: Characterizations of (smif)2M [M = Fe, Co, Co+, Ni; smif = {(2-py)CH}2N] and [(TMS)2NFe]2(smif)22012-03-02T11:47:25-06:00https://digital.library.unt.edu/ark:/67531/metadc77146/<p><a href="https://digital.library.unt.edu/ark:/67531/metadc77146/"><img alt="Unusual Electronic Features and Reactivity of the Dipyridylazaallyl Ligand: Characterizations of (smif)2M [M = Fe, Co, Co+, Ni; smif = {(2-py)CH}2N] and [(TMS)2NFe]2(smif)2" title="Unusual Electronic Features and Reactivity of the Dipyridylazaallyl Ligand: Characterizations of (smif)2M [M = Fe, Co, Co+, Ni; smif = {(2-py)CH}2N] and [(TMS)2NFe]2(smif)2" src="https://digital.library.unt.edu/ark:/67531/metadc77146/small/"/></a></p><p>Article discussing unusual electronic features and reactivity of the dipyridylazaallyl ligand and characterizations of (smif)2M [M = Fe, Co, Co+, Ni; smif = {(2-py)CH}2N and [(TMS)2NFe] 2(smif)2.</p>Jahn - Teller Distortion in the Phosphorescent Excited State of Three-Coordinate Au(I) Phosphine Complexes2012-03-02T11:47:25-06:00https://digital.library.unt.edu/ark:/67531/metadc77134/<p><a href="https://digital.library.unt.edu/ark:/67531/metadc77134/"><img alt="Jahn - Teller Distortion in the Phosphorescent Excited State of Three-Coordinate Au(I) Phosphine Complexes" title="Jahn - Teller Distortion in the Phosphorescent Excited State of Three-Coordinate Au(I) Phosphine Complexes" src="https://digital.library.unt.edu/ark:/67531/metadc77134/small/"/></a></p><p>This article discusses three-coordinate Au(I) phosphine complexes.</p>Thermodynamics, Kinetics, and Mechanism of (silox)3M(olefin) to (silox)3M(alkylidene) Rearrangements (silox = tBu3SiO; M = Nb, Ta)2012-03-02T11:47:25-06:00https://digital.library.unt.edu/ark:/67531/metadc77135/<p><a href="https://digital.library.unt.edu/ark:/67531/metadc77135/"><img alt="Thermodynamics, Kinetics, and Mechanism of (silox)3M(olefin) to (silox)3M(alkylidene) Rearrangements (silox = tBu3SiO; M = Nb, Ta)" title="Thermodynamics, Kinetics, and Mechanism of (silox)3M(olefin) to (silox)3M(alkylidene) Rearrangements (silox = tBu3SiO; M = Nb, Ta)" src="https://digital.library.unt.edu/ark:/67531/metadc77135/small/"/></a></p><p>Article discussing the thermodynamic, kinetic, and mechanism of (silox)3M(olefin) to (silox)3M(alkylidene) rearrangements (silox = tBu3SiO; M = Nb, Ta).</p>Studies of Low-Coordinate Iron Dinitrogen Complexes2012-03-02T11:47:25-06:00https://digital.library.unt.edu/ark:/67531/metadc77137/<p><a href="https://digital.library.unt.edu/ark:/67531/metadc77137/"><img alt="Studies of Low-Coordinate Iron Dinitrogen Complexes" title="Studies of Low-Coordinate Iron Dinitrogen Complexes" src="https://digital.library.unt.edu/ark:/67531/metadc77137/small/"/></a></p><p>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.</p>The Reactivity Patterns of Low-Coordinate Iron-Hydride Complexes2012-03-02T11:47:25-06:00https://digital.library.unt.edu/ark:/67531/metadc77143/<p><a href="https://digital.library.unt.edu/ark:/67531/metadc77143/"><img alt="The Reactivity Patterns of Low-Coordinate Iron-Hydride Complexes" title="The Reactivity Patterns of Low-Coordinate Iron-Hydride Complexes" src="https://digital.library.unt.edu/ark:/67531/metadc77143/small/"/></a></p><p>This article discusses the reactivity patterns of low-coordinate iron-hydride complexes. The authors report a survey of the reactivity of the first isolable iron-hydride complexes with a coordiination number less than 5.</p>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 Processes2012-03-02T11:47:25-06:00https://digital.library.unt.edu/ark:/67531/metadc77139/<p><a href="https://digital.library.unt.edu/ark:/67531/metadc77139/"><img alt="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" title="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" src="https://digital.library.unt.edu/ark:/67531/metadc77139/small/"/></a></p><p>This article discusses evidence for metal-mediated processes.</p>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 Ethylene2012-03-02T11:47:25-06:00https://digital.library.unt.edu/ark:/67531/metadc77140/<p><a href="https://digital.library.unt.edu/ark:/67531/metadc77140/"><img alt="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" title="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" src="https://digital.library.unt.edu/ark:/67531/metadc77140/small/"/></a></p><p>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.</p>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 Study2012-03-02T11:47:25-06:00https://digital.library.unt.edu/ark:/67531/metadc77141/<p><a href="https://digital.library.unt.edu/ark:/67531/metadc77141/"><img alt="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" title="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" src="https://digital.library.unt.edu/ark:/67531/metadc77141/small/"/></a></p><p>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.</p>Evidence for the Net Addition of Arene C-H Bonds across a Ru(II)-Hydroxide Bond2012-03-02T11:47:25-06:00https://digital.library.unt.edu/ark:/67531/metadc77138/<p><a href="https://digital.library.unt.edu/ark:/67531/metadc77138/"><img alt="Evidence for the Net Addition of Arene C-H Bonds across a Ru(II)-Hydroxide Bond" title="Evidence for the Net Addition of Arene C-H Bonds across a Ru(II)-Hydroxide Bond" src="https://digital.library.unt.edu/ark:/67531/metadc77138/small/"/></a></p><p>Article discussing evidence for the net addition of Arene C-H bonds across a Ru(II)-Hydroxide bond.</p>3-Center-4-Electron Bonding in [(silox)2Mo=NtBu]2(μ-Hg) Controls Reactivity while Frontier Orbitals Permit a Dimolybdenum π-Bond Energy Estimate2012-03-02T11:47:25-06:00https://digital.library.unt.edu/ark:/67531/metadc77136/<p><a href="https://digital.library.unt.edu/ark:/67531/metadc77136/"><img alt="3-Center-4-Electron Bonding in [(silox)2Mo=NtBu]2(μ-Hg) Controls Reactivity while Frontier Orbitals Permit a Dimolybdenum π-Bond Energy Estimate" title="3-Center-4-Electron Bonding in [(silox)2Mo=NtBu]2(μ-Hg) Controls Reactivity while Frontier Orbitals Permit a Dimolybdenum π-Bond Energy Estimate" src="https://digital.library.unt.edu/ark:/67531/metadc77136/small/"/></a></p><p>Article describing research on 3-center-4-electron bonding in [(silox)2Mo=NtBu]2(mu-Hg).</p>