This article discusses potential problems if the widely-applied MP2 approach is used in such situations with basis sets of insufficient size.

Article describes how two water-soluble zinc(II) phthalocyanines substituted with two or four permethylated β-cyclodextrin (β-CD) moieties at the α positions have been utilized as building blocks for the construction of artificial photosynthetic models in water. The hydrophilic and bulky β-CD moieties not only can increase the water solubility of the phthalocyanine core and prevent its stacking in water but can also bind with a tetrasulfonated zinc(II) porphyrin (ZnTPPS) and/or sodium 2-anthraquinonesulfonate (AQ) in water through host–guest interactions.

Article asserts that this research presents a novel and environmentally friendly approach for the synthesis of multifunctional nanobiocomposites for the efficient removal of toxic heavy metal and dye, as well as the disinfection of wastewater microorganisms. The synthesized bioinspired nanocomposite KAC-CS-AgNPs could be an innovative solution for effective and sustainable wastewater treatment and has great potential for commercial applications.

Article on the correlation and prediction of partition coefficients between the gas phase and water, and the solvents dodecane and undecane.

Article on energetics of the N-O bonds in 2-hydroxyphenazine-di-N-oxide.

Article describing a detailed chemical kinetic model for oxidation of acetylene at intermediate temperatures and high pressure that was developed and evaluated experimentally.

This article uses molecular dynamics simulations and experimental point mutations to probe the role of S-loop residues in tertiary structure, substrate binding, and allosteric communication.

Article on the hydrogen bond properties of water from 273 K to 573 K and equations for the prediction of gas-water partition coefficients.

Article on kinetic and modeling studies of the reaction of hydroxyl radicals with tetrachloroethylene.

This article reviews the book "Chemistry of Advanced Materials: An Overview," edited by Leonard V. Interrante and Mark J. Hampden-Smith.

Article presents a combination of first principles and quantum ballistic transport calculations to shed important insights from an atomistic viewpoint on the underlying mechanisms governing spin transport in graphene/ CrI₃ junctions.

Article on the solubility of anthracene in multicomponent Solvent Mixtures Containing Propanol, Butanol, and Alkanes.

Article on the solubility of anthracene in ternary 2,2,4-trimethylpentane + propanol + 1-pentanol and 2,2,4-trimethylpentane + butanol + 1-pentanol mixtures.

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

Article on the solubility of anthracene in ternary methyl tert-butyl ether + alcohol + 2,2,4-trimethylpentane solvent mixtures at 298.15 K.

Article on the solubility of anthracene in ternary methyl tert-butyl ether + alcohol + heptane solvent mixtures at 298.15 K.

Article discussing the stability studies of transition-metal linkage isomers using quantum mechanical methods and groups 11 and 12 transition metals.

This article presents theoretical and experimental results for the surface core-level binding energy, BE, shifts, SCLS, for MgO(100) and the anomalous O(1s) SCLS is interpreted in terms of the surface electronic structure.

Article on the transfer of neutral molecules, ions and ionic species from water to ethylene glycol and to propylene carbonate and descriptors for pyridinium cations.

This article uses Transient electron paramagnetic resonance (TREPR) spectroscopy to investigate the pathway and dynamics of electron transfer in a palladium porphyrin–fullerene donor–acceptor conjugate.

Article says that unsymmetric pentacenequinone-fused (cross-conjugated) and pentacene-fused (linear-conjugated) porphyrins were designed and synthesized. This work provides important and useful information on guiding new material designs.