UNT Scholarly Works - 2,145 Matching Results

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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: 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.
Jahn - Teller Distortion in the Phosphorescent Excited State of Three-Coordinate Au(I) Phosphine Complexes: This article discusses three-coordinate Au(I) phosphine complexes.
Thermodynamics, Kinetics, and Mechanism of (silox)3M(olefin) to (silox)3M(alkylidene) Rearrangements (silox = tBu3SiO; M = Nb, Ta): Article discussing the thermodynamic, kinetic, and mechanism of (silox)3M(olefin) to (silox)3M(alkylidene) rearrangements (silox = tBu3SiO; M = Nb, Ta).
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.
The Reactivity Patterns of Low-Coordinate Iron-Hydride Complexes: 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.
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: This article discusses evidence for metal-mediated processes.
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.
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.
Evidence for the Net Addition of Arene C-H Bonds across a Ru(II)-Hydroxide Bond: Article discussing evidence for the net addition of Arene C-H bonds across a Ru(II)-Hydroxide bond.
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).
Molybdenum and Tungsten Structural Differences are Dependent on ndz2/(n + 1)ѕ Mixing: Comparisons of (silox)3MX/R (M = Mo, W; silox = tBu3SiO): Article discussing molybdenum and tungsten structural differences being dependent on ndz2/(n + 1)s mixing and a comparison of (silox)3MX/R (M = Mo, W; silox - tBu3SiO).
Four-Coordinate Mo(II) as (silox)2Mo(PMe3)2 and Its W(IV) Congener (silox)2HW(ɳ2-CH2PMe2) (silox = tBu3SiO): Article discussing four-coordinate Mo(II) as (silox)₂Mo(PMe₃)₂ and its W(IV) Congener (silox)₂HW(ɳ²-CH₂PMe₂)(PMe₃) (silox = ᵗBu₃SiO).
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.
Metal Effect on the Supramolecular Structure, Photophysics, and Acid-Base Character of Trinuclear Pyrazolato Coinage Metal Complexes: This article discusses the metal effect on the supramolecular structure, photophysics, and acid-base character of trinuclear pyrazolato coinage metal complexes.
Bonding and Structure of Copper Nitrenes: Article discussing research on the bonding and structure of copper nitrenes.
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.
Evidence for Strong Tantalum-to-Boron Dative Interactions in (silox)3Ta(BH3) and (silox)3Ta(ɳ2-B,CI-BCI2Ph) (silox = tBu3SiO)1: This article discusses strong tantalum-to-boron dative interactions in (silox)3Ta(BH3) and (silox)3Ta(ɳ2-B,CI-BCI2Ph) (silox = tBu3SiO)1.
A T-Shaped Three-Coordinate Nickel(l) Carbonyl Complex and the Geometric Preferences of Three-Coordinate d9 Complexes: This article discusses a T-shaped three-coordinate nickel(l) carbonyl complex and the geometric preferences of three-coordinate d9 complexes.
Re-assessing the science - society relation: The case of the US National Science Foundation's broader impacts merit review criterion (1997 - 2011): Article discussing research on re-assessing the science to society relation and the case of the U.S. National Science Foundation's broader impacts merit review criterion from 1997 to 2011.
The Synergy Between Qualitative Theory, Quantitative Calculations, and Direct Experiments in Understanding, Calculating, and Measuring the Energy Differences Between the Lowest Singlet and Triplet States of Organic Diradicals: Article discussing the synergy between qualitative theory, quantitative calculations, and direct experiments in understanding, calculating, and measuring the energy differences between the lowest singlet and triplet states of organic diradicals.
Oxygen Atom Transfer Energetics: Assessment of the Effect of Method and Solvent: This article discusses oxygen atom transfer energetics.
Tracembler - software for in-silico chromosome walking in unassembled genomes: Article discussing Tracembler, a software for in-silico chromosome walking in unassembled genomes.
BOV - a web-based BLAST output visualization tool: Article discussing research on BOV, a web-based BLAST output visualization tool.
ESTPiper - a web-based analysis pipeline for expressed sequence tags: Article discussing ESTPiper, a web interface that streamlines the expressed sequence tags (EST) analysis process.
GSV: a web-based genome synteny viewer for customized data: Article discussing the genome synteny viewer (GSV), a web-based viewer providing a unique option for biologists to analyze genome synteny by uploading their own data set to a web-based comparative genome browser.
Conversions of Ruthenium (III) Alkyl Complexes to Ruthenium (II) through Ru-Calkyl Bond Homolysis: This article discusses conversions of Ruthenium(III) alkyl complexes.
Experimental and Computational Studies of Ruthenium(II)-Catalyzed Addition of Arene C-H Bonds to Olefins: This article discusses experimental and computational studies of Ruthenium(II)-Catalyzed addition of arene C-H bonds to olefins.
Reversible Beta-Hydrogen Elimination of Three-Coordinate Iron(II) Alkyl Complexes: Mechanistic and Thermodynamic Studies: Article discussing mechanistic and thermodynamic studies and reversible beta-hydrogen elimination of three-coordinate iron(II) alkyl complexes.
Reactions of TpRu(CO) (NCMe) (Me) (Tp = Hydridotris(pyrazolyl)borate) with Heteroaromatic Substrates: Stoichiometric and Catalytic C-H Activation: Article discussing reactions of TpRu(CO)(NCMe)(Me) (Tp = Hydridotris(pyrazolyl)borate) with heteroaromatic substrates and stoichiometric and catalytic C-H activation.
Synthesis and Reactivity of a Coordinatively Unsaturated Ruthenium(II) Parent Amido Complex: Studies of X-H Activation (X = H or C): Article discussing the synthesis and reactivity of a coordinatively unsaturated Ruthenium(II) parent amido complex and studies of X-H activation (X = H or C).
Lévy diffusion as an effect of sporadic randomness: This article discusses Lévy diffusion as an effect of sporadic randomness.
Fluctuation-Dissipation Process Without a Time Scale: Article discussing the fluctuation-dissipation process without a time scale.
Towards the thermodynamics of localization processes: In this article, the authors study the entropy time evolution of a quantum mechanical model, which is frequently used as a prototype for Anderson's localization.
Canonical and noncanonical equilibrium distribution: Article discussing research on canonical and noncanonical equilibrium distribution.
Trajectory versus probability density entropy: In this article, the authors show that the widely accepted conviction that a connection can be established between the probability density entropy and the Kolmogorov-Sinai (KS) entropy is questionable.
Dynamic Approach to the Thermodynamics of Superdiffusion: This article discusses dynamic approach to the thermodynamics of superdiffusion.
Ruthenium(II)-Mediated Carbon-Carbon Bond Formation between Acetonitrile and Pyrrole: Combined Experimental and Computational Study: This article discusses ruthenium(II)-mediated carbon-carbon bond formation between acetonitrile and pyrrole.
Reactions of a Ru(II) Phenyl Complex with Substrates that Possess C-N or C-O Multiple Bonds: C-C Bond Formation, N-H Bond Cleavage, and Decarbonylation Reactions: Article on the reactions of an Ru(II) phenyl complex with substrates that possess C-N or C-O multiple bonds and C-C bond formation, N-H bond cleavage, and decarbonylation reactions.
Single-Electron Oxidation of Monomeric Copper(I) Alkyl Complexes: Evidence for Reductive Elimination through Biomolecular Formation of Alkanes: This article discusses single-electron oxidation of monomeric copper(I) alkyl complexes.
Performance of the correlation consistent composite approach for transition states: A comparison to G3B theory: This article discusses performance of the correlation consistent composite approach for transition states.
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.
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.
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).
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.
xGDB: open-source computational infrastructure for the integrated evaluation and analysis of genome features: Article discussing the eXtensible Genome Data Broker (xGDB) and an open-source computational infrastructure for the integrated evaluation and anlysis of genome features.
Genome-wide mutagenesis of Zea mays L. using RescueMu transposons: This article discusses genome-wide mutagenesis of Zea mays L. using RescueMu transposons.
Bianucci, Mannella, and Grigolini Reply: Article replying to a comment by Massimo Falcioni and Angelo Vulpiani. The authors discuss research on the linear response theory (LRT).
Anomalous diffusion associated with nonlinear fractional derivative Fokker-Planck-like equation: Exact time-dependent solutions: Article discussing research on anomalous diffusion associated with nonlinear fractional derivative Fokker-Planck-like equation.
RICHEST - a web server for richness estimation in biological data: Article discussing a web server for richness estimation in biological data called RICHness ESTimator (RICHEST).
Pediatric functional magnetic resonance neuroimaging: tactics for encouraging task compliance: This article discusses tactics for encouraging compliance in pediatric functional magnetic resonance neuroimaging.

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