Article on the first-principles theory of correlated transport through nanojunctions.

Article on dynamic conductance of carbon nanotubes.

This article updates the second part of a compendium of phase change enthalpies published in 2010 to include the period 1880-2015.

This article discusses a computational study of polarizabilities and second hyperpolarizabilities of inorganic transition metal thiometalates and metalates in solution.

This article maps the torsional surface of n-pentane to 10-degree resolution at the CCSD(T)-F12 level near the basis set limit.

Article discussing research on carbon dioxide migration pathways in proteins.

Article on the solubility of polycyclic aromatic hydrocarbons in pure and organic solvent mixtures. This work updates volumes 54, 58, and 59 in the IUPAC Solubility Data Series and presents solubility data for polycyclic aromatic hydrocarbon solutes dissolved in neat organic solvents.

Article discussing spectrochemical investigations of preferential solvation and the compatibility of thermodynamic models versus spectrofluorometric probe methods for tautomeric solutes dissolved in binary mixtures.

Rate coefficients, k, for the gas-phase reaction of the OH radical with (E)CF3CHCHCF3 ((E)-1,1,1,4,4,4-hexafluoro-2-butene, HFO-1336mzz(E)) were measured over a range of temperatures (211−374 K) and bath gas pressures (20−300 Torr; He, N2) using a pulsed laser photolysis−laser-induced fluorescence (PLP−LIF) technique. k1(T) was independent of pressure over this range of conditions with k1(296 K) = (1.31 ± 0.15) × 10−13 cm3 molecule−1 s−1 and k1(T) = (6.94 ± 0.80) × 10−13exp[−(496 ± 10)/T] cm 3 molecule−1 s−1, where the uncertainties are 2σ, and the pre-exponential term includes estimated systematic error. Rate coefficients for the OD reaction were also determined over a range of temperatures (262−374 K) at 100 Torr (He). The OD rate coefficients were ∼15% greater than the OH values and showed similar temperature dependent behavior with k2(T) = (7.52 ± 0.44) × 10−13exp[−(476 ± 20)/T] and k2(296 K) = (1.53 ± 0.15) × 10−13 cm3 molecule−1 s−1. The rate coefficients for reaction 1 were also measured using a relative rate technique between 296 and 375 K with k1(296 K) measured to be (1.22 ± 0.1) × 10−13 cm3 molecule−1 s−1, in agreement with the PLP−LIF results. In addition, the 296 K rate coefficient for the O3 +( E)CF3CHCHCF3 reaction …

Article on slow hydrogen atom transfer reactions of oxo- and hydroxo-vanadium compounds and the importance of intrinsic barriers.

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.

Article discussing the thermodynamic, kinetic, and mechanism of (silox)3M(olefin) to (silox)3M(alkylidene) rearrangements (silox = tBu3SiO; M = Nb, Ta).

This article discusses the net hydrogenation of Pt-NHPh bond catalyzed by elemental Pt.

Article on an investigation of the gas-phase reaction of trimethylsilyl radicals with HBr and measurement of the (CH₃)₃ Si-H bond strength.

Article on high-temperature photochemistry kinetics studies of the reactions of hydrogen atom(1²S) and deuterium atom (1²S) with nitrous oxide.

Article discussing research on the correlation consistent composite approach (ccCA) and an alternative to the Gaussian-n methods.

Article commenting on an article titled, "Measurement and correlation of solubilities of (Z)-2-(2-aminothiazol-4-yl)-2-methoxyiminoacetic acid in different pure solvents and binary mixtures of water + (ethanol, methanol, or glycol)," published in March 2011.

Article commenting on "Role of Anions (tetrafluoroborate, perchlorate) of tetrabutylammonium salts in determining solvation effects prevailing in industrially essential solvents probed by conductance and FT-IR spectra.

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

Article develops Trichoderma reesei (Hypocrea jecorina) as a microbial cell factory for the heterologous expression of fungal secondary metabolites.

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

Article on the solubility in binary solvent mixtures and anthracene dissolved in alcohol + acetonitrile mixtures at 298.2 K.

This article discusses the study of ether-, alcohol, or cyano-functionalized ionic liquids using inverse gas chromatography.

Article on thermodynamic properties of quinoxaline-1,4-dioxide derivatives and a combined experimental and computational study.