This perspective highlights recent developments in the field of statistical mechanics for molecular liquids, i.e. the integral equation (IE) theory, especially focusing on hybrid approaches incorporating quantum chemistry and IE theory. The electronic structure of solvated molecules is characterized, followed by recent developments and applications. The latter includes for some specific systems...

A one-pot three-component [2+3] cycloaddition for the synthesis of 1-alkyl 1H-naphtho[2,3-d][1,2,3]triazole-4,9-dione and 2-alkyl 2H-naphtho[2,3-d][1,2,3]triazole-4,9-dione has been developed. By taking the advantage of difference in basicity, both products can be obtained in good purity. The unique heterocyclic scaffolds of these two products could exert interesting chemical and biological pro...

Microwave-assisted unimolecular isomerization-Claisen domino reactions of 1,3-di(hetero)aryl propargyl trityl ethers lead, depending on the basicity of the amine, either to the formation of tricyclo[3.2.1.0(2,7)]oct-3-enes (with triethylamine) or to indanes (with DBU). Based upon product analyses and computations, this base dependent dichotomy can be rationalized as a sequel of pericyclic react...

Thin-layer chromatography of nineteen amines has been performed on silica gel layers with a water-in-oil microemulsion (sodium dodecyl sulphate + water + heptane + n-pentanol, 8.0 g + 8.0 mL + 160.0 mL + 25.0 mL) as mobile phase. The effect of the basicity of the amines on their RF values was examined. The proposed thin layer chromatographic method was used to separate isomers of nitroaniline f...

Developing the innovative technology for efficient utilization of high-phosphate iron ore was inevitable choice resource strategy. In this paper, exploring a new method gasification removal phosphorus by sintering based on biomass. Combined with theoretical analysis and experimental research, effects different conditions (biochar type, addition proportion, basicity) reduction behavior were stud...

In the present work, effect of basicity at lower range from 0.98 to 2.13 on dephosphorization hot metal 1623 K was studied through high-temperature laboratorial experiments. With increase 2.13, P and C contents in rapidly decrease first, then gradually increase, respectively. From scanning electron microscopy-energy dispersive X-ray spectroscopy (SEM-EDS) diffraction (XRD) results, with basicit...