This article looks at molecules that can exist in multiple states with the possibility of toggling between those states based on different stimuli. They have potential for use in molecular switching or sensing applications. The coupling of two different oxidation states with two different charge-transfer states within one macrocyclic scaffold delivers up to five different optical outputs. This molecular switching manifold exploits intramolecular coupling of multiple redox active substituents within a single molecule.

This article discusses multiple coexisting intercalation structures of sodium in peitaxial graphene-SiC interfaces.

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

This editorial discusses the importance of equilibrium solubility in pharmaceutical areas.

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

Article on polycyclic aromatic hydrocarbon solute probes and the evaluation of additional coronene derivatives as possible solvent polarity probe molecules.

Article on polycyclic aromatic hydrocarbon solute probes and an evaluation of additional pentaphene, pentacene, and pyranthrene compounds as possible solvent polarity probes.

Article on predicting Abraham model solvent coefficients.

Article claims that rosuvastatin (RST) is a poorly water-soluble drug responsible for limited in vivo dissolution and subsequently low oral systemic absorption (poor bioavailability). The results of inverse Kirkwood–Buff integrals showed the PS of RST by PEG400 as observed in all studied ratios of the binary mixture.

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 describes how the reaction NH3 + NH2 ⇄ N2H3 + H2 (R1) has been identified as a key step to explain experimental results for pyrolysis and oxidation of ammonia. In the present work, the reaction was studied by ab initio theory and by reinterpretation of experimental data.

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.

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 …

This article discusses rate constant and thermochemistry for K + O2 + N2 = KO2 + N2.

Article on reactions of SO₃ with the O/H radical pool under combustion conditions.

This article describes (dadi)Ti(X/L) species that manifest redox non-innocence (RNI), including a rare instance in which carbon monoxide does not affect redox activity at the metal, and does not bind, thus permitting its use as a substrate in catalysis.

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

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

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

Article on solubility in binary solvent systems III and predictive expressions based on molecular surface areas.

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.

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

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