Article on an ab initio investigation of halocarbenes.

A detailed chemical kinetic model for oxidation of CH3CHO at intermediate to high temperature and elevated pressure has been developed and evaluated by comparing predictions to novel high-pressure flow reactor experiments as well as shock tube ignition delay measurements and jet-stirred reactor data from literature. The flow reactor experiments were conducted with a slightly lean CH3CHO/O2 mixture highly diluted in N2 at 600–900 K and pressures of 25 and 100 bar. This is the accepted manuscript version of the published article.

This article describes ammonia oxidation experiments conducted at high pressure (30 bar and 100 bar) under oxidizing and stoichiometric conditions, respectively, and temperatures ranging from 450 to 925 K.

Article on the analysis of immobilized artificial membrane retention factors for both neutral and ionic species.

This article investigates a new architecture for iterative Type I polyketide synthases (PKS) from fungi.

Article discussing a computational study on the catalytic synthesis of arylisocyanates from nitroaromatics.

Patent relating to the composition of epoxy resin, aliphatic amine curing agent and halogenated amine.

Article on a computational study of C-H bond strengths in polyfluoroalkanes.

This article discusses experimental and computational studies of Ruthenium(II)-Catalyzed addition of arene C-H bonds to olefins.

Article asserts that oxidation of acetonitrile has been studied in a flow reactor in the absence and presence of nitric oxide. A detailed chemical kinetic model for oxidation of acetonitrile was developed, based on a critical evaluation of data from literature. This is the accepted manuscript version of the published article.

Article describes how the selective removal of the β-emitting pertechnetate ion (99TcO4−) from nuclear waste streams is technically challenging. In this article, a practical approach is proposed for the selective removal of 99TcO4− (or its surrogate ReO4−) under extreme conditions of high acidity, alkalinity, ionic strength, and radiation field.

This article discusses the metal effect on the supramolecular structure, photophysics, and acid-base character of trinuclear pyrazolato coinage metal complexes.

Article discussing modeling the deposition of metal atoms on a p-Type organometallic conductor and implications for stability and electron transfer.

Article on the partition of solutes into wet and dry ethers and an LFER analysis.

Book chapter on the prediction of partition coefficients and permeability of drug molecules in biological systems with Abraham model solute descriptors derived from measured solubilities and water-to-organic solvent partition coefficients.

This book chapter discusses the prediction of toxicity, sensory responses and biological responses with the Abraham model.

This article reports pyrazinacenes containing the dihydro-decaazapentacene and dihydro-octaazatetracene chromophores and compares their properties/functions as a model case at an oxidizing metal substrate.

Article presents an overview of two successful examples of photosynthetic reaction center models combined with light-capturing antenna chromophores. This article is part of the JSS Focus Issue on Porphyrins, Phthalocyanines, and Supramolecular Assemblies in Honor of Karl M. Kadish.

Article presenting the calculation of the heats of combustion ΔH°c and formation ΔH°f of organic molecules at standard conditions using a commonly applicable computer algorithm based on the group-additivity method. This work is a continuation and extension of an earlier publication.

Article simultaneously imprinting the p-synephrine 1 template and covalently immobilizing a a ferrocene redox probe in a (bis-bithiophene)-based polymer. The resulting molecularly imprinted polymer (MIP) was deposited on the Pt electrode as a thin film to form a redox self-reporting MIP film-based chemosensor.

This article uses a molecularly imprinted polymer (MIP) to form a redox self-reporting MIP film-based chemosensor applied for p-synephrine determination.

Article on solubility determination of tris(hydroxymethyl)aminomethane in water + methanol mixtures at various temperatures using a laser monitoring technique.

This article discusses the solubility of anthracene and phenanthrene in ethanol + 2,2,4-trimethylpentane mixtures at different temperatures.

Article on the solubility of anthracene in binary alcohol + 2-methoxyethyl ether solvent mixtures.