Article on the correlation and prediction of partition coefficients between the gas phase and water, and the solvents dodecane and undecane.

Article on an NMR method for the quantitative assessment of intramolecular hydrogen bonding and an application to physiochemical, environmental, and biochemical properties.

Article describes study in which researchers determined molar refractions of tris(acetylacetonato)chromium(III), tris(acetylacetonato)iron(III) and tris(acetylacetonato)cobalt(III).

This article discusses hydrogen bonding between solutes in solvents octan-1-ol and water.

Article on the transfer of neutral molecules, ions and ionic species from water to benzonitrile and a comparison with nitrobenzene.

Article on phase transition enthalpy measurements of organic and organometallic compounds, sublimation, and vaporization and fusion enthalpies from 1880 to 2010.

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.

This article discusses water-solvent systems for estimating in vivo blood-tissue partition coefficients.

Article discussing spectrochemical investigations of preferential solvation and fluorescence emission behavior of select polycyclic aromatic hydrocarbon solute probes dissolved in mixed solvents.

Article on an ab initio study of the reaction of atomic hydrogen with sulfur dioxide.

Patent relating to novel metal hydroxide derivatives containing chemically bound organophosphorus or polyphosphate species as flame retardants.

Article on dielectric properties and Raman spectra of ZnO from a first principles finite-differences/finite-fields approach.

This article discusses complex materials for molecular spintronics applications.

Article describes how rate constants for the dissociation/recombination reaction N2H4 (+ M) ⇄ NH2 + NH2 (+ M) are determined by a combination of quantum-chemical calculations and statistical unimolecular rate theory. Implications of the present re-evaluated rate constants for the modeling of high temperature ammonia oxidation kinetics are discussed, showing an only small influence of their precise values on the overall properties of the process.

Article demonstrating the adaptively molecular discrimination of xylene isomers by employing a NbOF52−-pillared metal–organic framework (NbOFFIVE-bpy-Ni, also referred to as ZU-61) with rotational anionic sites.

Article discussing research on the bonding and structure of copper nitrenes.

Data management plan for the grant, "MRI: Acquisition of a High Performance Hybrid Computer Cluster for Computational Modeling." Research grant for the purchase, installation, and operation of a new high-performance computing (HPC) resource, called CRUNTCH4, to be deployed at the University of North Texas’ (UNT) Center for Advanced Scientific Computing and Modeling (CASCaM). This much needed HPC resource combines different computing architectures and significant amounts of data storage, all connected via a high-speed communications fabric. This computing resource will provide the means for CASCaM investigators to continue research on a broad range of topics including quantum chemistry, materials design, biomolecular simulations, machine-learning based chemical discovery, and bioinformatics, among others.

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.

This article is a response to a comment on the authors' original article "Disentangling Orbital and Valley Hall Effects in Bilayers of Transition Metal Dichalcogenides." The authors' response concludes that they do not believe the main points of the original Letter are affected by the Comment.

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.

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.

Article on the solubility of anthracene in ternary propanol + 2,2,4-trimethylpentane + cyclohexane and butanol + 2,2,4-trimethylpentane + cyclohexane solvent mixtures.

Article on the solubility of anthracene in ternary propanol + butanol + cyclohexane solvent mixtures.

Article on the solubility of anthracene in ternary propanol + butanol + 2,2,4-trimethylpentane solvent mixtures.