Article on ad-dimers on strained carbon nano-tubes.

Article on the strain effects on the interface properties of nitride semiconductors.

Article on theoretical STM signatures and transport properties of native defects in carbon nanotubes.

Article on the theory of surface morphology of wurtzite GaN (0001) surfaces.

Article on electronic transport in extended systems and the application to carbon nanotubes.

Article on the mechanism of strain release in carbon nanotubes.

Article on mechanical deformations and coherent transport in carbon nanotubes.

Article on semiclassical chaos, the uncertainty principle, and quantum dissipation.

Article on intrinsic electrical transport properties of monolayer silicene and MoS₂ from first principles.

This article discusses experimental quenching of harmonic stimuli.

Article discussing reactions of TpRu(CO)(NCMe)(Me) (Tp = Hydridotris(pyrazolyl)borate) with heteroaromatic substrates and stoichiometric and catalytic C-H activation.

This article discusses a periodic and molecular modeling study. Supramolecular stacked materials (dbbpy)Pt(tdt)•TENF and [Pt(dbbpy)(tdt)]₂•TENF are built from (dbbpy)Pt(tdt) donors (D) with TENF acceptors (A) (TENF = 2,4,5,7-tetranitro-9-fluorenone; dbbpy = 4,4'-di-tert-butyl-2,2'-bipyridine; tdt = 3,4-toluenedithiolate).

Article on the solubility of benzoic acid and substituted benzoic acids in both neat organic solvents and organic solvent mixtures.

This article describes the atomic orbital close coupling results for excitation to the n=2 states to document the computational procedure adopted and to convey new insight into the behavior of these fundamental cross sections.

This article compares results of approaches applicable in a lower impact energy regime by benchmarking them using key experimental data in order to make knowledge of these cross sections available across the range parameters needed by fusion plasma diagnostics.

Article on calculations predicting a large inverse H/D kinetic isotope effect on the rate of tunneling in the ring opening of cyclopropylcarbinyl radical.

This article discusses research that has demonstrated the utility of a rigorously calibrated, molecular mechanics/semiempirical quantum mechanical protocol for developing stereoelectronic (Tolman) maps for phosphine ligands.

The article looks at antitumor activity using a matched pair of cell lines MDA-MB-231 cells that are estrogen-independent, estrogen receptor negative and MCF-7 cells, a cell line that is estrogen receptor (ER) positive. Those polyethers that contained a O-phenyl unit were able to significantly inhibit the non-estrogen sensitive cell line but were much less effective against the estrogen sensitive cell line; that is, the human breast cancer cell line MDA-MB-231 showed better test results for polymers derived from diols containing the O-phenyl moiety than the breast cancer cell line MCF-7, a well-characterized estrogen receptor positive control cell line.

Article on the solubility of anthracene in ternary 1,4-dioxane + alcohol + 2,2,4-trimethylpentane solvent mixtures at 298.15 K.

Article on the solubility of tris(hydroxymethyl)aminomethane in water + methanol + 1-propanol mixtures at various temperatures.

Article discussing the deduction of physiochemical properties from solubilities and 2,4-dihydroxybenzophenone, biotin, and caprolactam as examples.

Article on an ab initio study of the ionization of sodium superoxide.

Article discussing the solubility of quercetin. The authors have applied a methodology based on linear free energy equations for water-solvent and gas-solvent partitions to study solubilities.

Article on a computational study of adducts between atomic chlorine and carbon dioxide, carbonyl sulfide and carbon disulfide.