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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).
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.
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.
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.
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.
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.
Conversions of Ruthenium (III) Alkyl Complexes to Ruthenium (II) through Ru-Calkyl Bond Homolysis
This article discusses conversions of Ruthenium(III) alkyl complexes.
The Dissociation Enthalpies of Terminal (N--O) Bonds in Organic Compounds
Article on the dissociation enthalpies of terminal (N-O) bonds in organic compounds.
Dissociation of Water on Defective Carbon Substrates
Article on the dissociation of water on defective carbon substrates.
Edmonds et al. Reply
This article is a response to an article by M. Adell et al. [Phy. Rev. Lett. 94, 139701 (2005)] about semiconductor-based spintronics research.
Energetics of the N-O Bonds in 2-Hydroxyphenazine-di-N-oxide
Article on energetics of the N-O bonds in 2-hydroxyphenazine-di-N-oxide.
Erratum: First-Principles Theory of Correlated Transport through Nanojunctions [Phys. Rev. Lett. 94, 116802 (2005)]
This article provides the correction of an equation that was misprinted in Physical Review Letters 94, 116802 (2005).
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.
First-Principles Theory of Correlated Transport through Nanojunctions
Article on the first-principles theory of correlated transport through nanojunctions.
A General Treatment of Solubility. 3. Principal Component Analysis (PCA) of the Solubilities of Diverse Solutes in Diverse Solvents
Article discussing a general treatment of solubility and principle component analysis (PCA) of the solubilities of diverse solutes in diverse solvents.
A kinetic study of the reaction of atomic oxygen with SO₂
Article on a kinetic study of the reaction of atomic oxygen with SO₂.
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
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.
Many-body effects in the 4f x-ray photoelectron spectroscopy of the U5+ and U4+ free ions
This article discusses many-body effects in the 4f x-ray photoelectron spectroscopy of the U5+ and U4+ free ions.
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.
Mathematical representation of solute solubility in binary mixture of supercritical fluids by the Jouyban-Acree model
Article on the mathematical representation of solute solubility in binary mixture of supercritical fluids by the Jouyban-Acree model.
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.
Modelling of Retention Factors of Analytes in Chromatography with Ternary Solvent Mobile Phases
Article on the modelling of retention factors of analytes in chromatography with ternary solvent mobile phases.
Rediscovery of the Elements: Agricola
Article describing the career and discoveries of Georgius Agricola. Tourist information regarding locations important to his life are visited and discussed.
Rediscovery of the Elements: Carl Wilhelm Scheele
Article describing the career and discoveries of Carl Wilhelm Scheele. Tourist information regarding locations important to Scheele's life are visited and discussed.
Rediscovery of the Elements: Joseph Priestley
Article describing the career and discoveries of Joseph Priestley. Tourist information regarding locations important to Priestley's life are visited and discussed.
Rediscovery of the Elements: Paracelsus
Article describing the career and discoveries of Phillippus Aureolus Theophrastus Paracelsus Bombastus von Hohenheim. Tourist information regarding locations important to his life are visited and discussed.
Rediscovery of the Elements: Phlogiston and Lavoisier
Article describing the rise and fall of the eighteenth century idea of phlogiston. Tourist information is provided regarding pertinent areas of phlogiston's history.
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.
Solubility of Crystalline Nonelectrolyte Solutes in Organic Solvents: Mathematical Correlation of 3-Chlorobenzoic Acid Solubilities with the Abraham Solvation Parameter Model
Article on the solubility of crystalline nonelectrolyte solutes in organic solvents and the mathematical correlation of 3-chlorobenzoic acid solubilities with the Abraham solvation parameter model.
Stability Studies of Transition-Metal Linkage Isomers Using Quantum Mechanical Methods, Groups 11 and 12 Transition Metals
Article discussing the stability studies of transition-metal linkage isomers using quantum mechanical methods and groups 11 and 12 transition metals.
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.
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
Article discussing the synthesis of the five-coordinate ruthenium (II) complexes and reactions with phenyldiazomethane and phenylacetylene.
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.
Thermochemical and Theoretical Studies of Dimethylpyridine-2,6-dicarboxylate and Pyridine-2,3-, Pyridine-2,5-, and Pyridine-2,6-dicarboxylic Acids
Article discussing thermochemical and theoretical studies of dimethylpyridine-2,6-dicarboxylate and pyridine-2,3-, pyridine-2,5- and pyridine-2,6-dicarboxylic acids.
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).
A Unified Cosolvency Model for Calculating Solute Solubility in Mixed Solvents
Article discussing a unified cosolvency model for calculating solute solubility in mixed solvents.
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