Article on an ab initio investigation of halocarbenes.

Article on Abraham model correlations for estimating solute transfer of neutral molecules into anhydrous acetic acid from water and from the gas phase.

Article on Abraham model correlations for solute partitioning into o-xylene, m-xylene and p-xylene from both water and the gas phase.

This article describes the recent re-design of the code and the new features and improvements in performance of PAOFLOW, a software tool that constructs tight-binding Hamiltonians from self-consistent electronic wavefunctions by projecting onto a set of atomic orbitals.

Article describes a study where various normalization techniques were investigated in order to improve the quantitative capabilities of direct analyte probed nanoextraction (DAPNe).

Article studying atomic layer deposition. In situ direct, epitaxial growth of multilayers of hexagonal boron nitride (h-BN) and graphene without physical transfer is of significant interest for the scalable production of graphene/h-BN heterostructures for device applications. Deposition on magnetic substrates is of particular interest for spin tunneling applications. X-ray photoelectron spectroscopy and low energy electron diffraction demonstrate epitaxial atomic-layer deposition (ALD) of multilayer h-BN(0001) on Ni(111) and subsequent deposition of azimuthally-aligned multilayer graphene on h-BN(0001)/Ni(111) by chemical vapor deposition. Boron nitride ALD was accomplished with alternating cycles of BCl₃/NH₃ at a 600 K substrate temperature, and subsequent annealing in ultrahigh vacuum. Subsequent deposition of graphene was achieved by chemical vapor deposition using ethylene (CH₂CH₂) at 1000 K.

Article describes an efficient strategy for designing charge-transfer complexes using coinage metal cyclic trinuclear complexes (CTCs).

Article discussing research on the catalytic tuning of a phosphinoethane ligand for enhanced C-H activation.

Article on chemical toxicity correlations for several fish species based on the Abraham solvation parameter model.

Article on chemistry surrounding monomeric copper(I) methyl, phenyl, anilido, ethoxide, and phenoxide complexes supported by N-heterocyclic carbene ligands.

This article provides comments on "Generalized corresponding-states method for the prediction of surface tension of pure liquids and liquid mixtures," published in the 'Journal of Colloid and Interface Science' in 1982.

Article commenting on the prediction of gas chromatographic retention behavior with mixed liquid phases.

This article provides a commentary on several sets of reported curve-fit parameters for the Modified Apelblat model that do not correctly back-calculate the observed solubility behavior of L-norvaline in the binary aqueous-alcohol solvent mixtures.

Article commenting on the 'solubility of buckminsterfullerene in tetrahydrofuran, thiophene, tetrahydrothiophene, 1,2-dichlorobenzene, 1,2,4-trichlorobenzene and n-butylamine.'

This article provides comments on "Solvation Parameters. 2. A Simplified Molecular Topology to Generate Easily Optimized Values," published in the Journal of Chemical Information and Modeling.

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

Article discussing molecules, mechanisms, and materials and current applications of computational chemistry in the Journal of the American Chemical Society (JACS).

Article on the dissociation of water on defective carbon substrates.

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

This article discusses enthalpy of solvation correlations for gaseous solutes dissolved in chloroform and 1,2-dichloroethane based on the Abraham model.

Article on the estimation of the effective dielectric constant of cyclodextrin cavities based on the fluorescence properties of pyrene-3-carboxaldehyde.

Article discussing evidence for the net addition of Arene C-H bonds across a Ru(II)-Hydroxide bond.

Article on excitation versus emission spectra as a means to examine selective fluorescence quenching agents.

Article demonstrating photoinduced charge transfer and separation events in a newly synthesized azobenzene-bridged perylenediimide-dimer (PDI-dimer). Results offer key insights on the role of the azobenzene bridge and the dimer geometry in governing the excited state charge transfer and separation in symmetrically linked PDI dimer.