This article discusses the effects of covalency on the p-shell photoemission of transition metals. The treatment of covalency has not been included previously in ab initio theoretical studies of the 2p-shell XPS of transition-metal complexes. In this work, covalent interactions between the metal and ligands are treated on an equal footing with spin-orbit splittings.

This article discusses ruthenium(II)-mediated carbon-carbon bond formation between acetonitrile and pyrrole.

This article gives comment to a previous article published in 'Molecular Pharmaceuticals' titled, "Structural Determinants of Drug Partitioning in Surrogates of Phosphatidylcholine Bilayer Strata."

Article discussing research on the correlation consistent composite approach (ccCA) and an application to the G3/99 test set.

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

Article on a computational study of the kinetics of hydrogen abstraction from fluoromethanes by the hydroxyl radical.

This article discusses the process of depositing CeO₂ with a preferred crystalline orientation.

Article presenting a consistent set of recommendations to express the proportionality coefficient, “Henry’s law constant” of Henry's law.

This document includes supplemental material to an article titled "Enthalpy of solvation correlations for gaseous solutes dissolved in benzene and in alkane solvents based on the Abraham model," published in QSAR & Combinatorial Science.

Article reports XPS and DFT findings regarding the O₂ plasma, NH₃ plasma, and NH₃+O₂ plasma treatment of sputter deposited vanadium oxynitride films.

Article on the solubility of anthracene in binary alcohol + 3-methoxy-1-butanol solvent mixtures.

This article discusses the development of surface-SFED models for polar solvents.

This article presents a detailed study on constructing potential energy surfaces using a machine learning method, namely, Gaussian process regression.

This article discusses disproportionation of gold(II) as an atomic ion as well as with chloride and neutral ligands.

Article on the mechanism and modeling of the formation of gaseous alkali sulfates.

Article asserts that ammonia (NH3) is a promising carbon-free energy carrier. The authors used experimental characterization and modeling to study the participation of alkali and sulfur species in ammonia conversion in a post-flame environment, focusing on the characteristics of NO emissions and NH3 slip.

Article on the inhibition of hydrogen oxidation by HBr and Br2.

Article describes study which demonstrates that a new, stable, artificial TATA (T — thymine, A — adenine) box is recognized by amino acids recognizing the natural TATA box.

Article describes post-flame sulfation of gaseous sodium hydroxide (NaOH) and sodium chloride (NaCl) was investigated with optical in situ measurements at 850 to 1475°C. The combined experimental data, chemical equilibrium calculations and kinetic modeling of the present study support that sulfation of alkali species can occur in the gas phase through homogeneous reactions.

Article expresses how the cadmium-contaminated water body is a worldwide concern for the environment and toxic to human beings and the removal of cadmium ions from drinking and groundwater sustainably and cost-effectively is important. The results showed that synthesized CS-KAC-Ag was a biocompatible and versatile porous filtering material for the decontamination of different toxic metal ions.

Patent relating to a process for synthesizing oil and surfactant-free hyaluronic acid nanoparticles and microparticles.

Article discusses how the fascinating, functional properties and applications of MOF-derived hollow porous materials primarily lie in their chemical composition, hollow character, and unique porous structure. The authors discuss a comprehensive overview of the synthetic strategies and emerging applications of hollow porous materials derived from MOF-based templates and/or precursors.

This article investigates low-level laser therapy for brain tumor treatment. The results provide evidence that the paired optical-driven agents provide a tunable platform that can generate significant U251 cell death increase.

Article discussing phonon engineering in nanostructures and controlling interfacial thermal resistance in multilayer-graphene/dielectric heterojunctions.