The mechanism of cationic polymerization of isobutylene catalyzed by t-BuCl/ethylaluminum
dichloride (EADC) combined with bis (2-chloroethyl) ether (CEE) in n-hexane solvent has …

The multipole-expansion (MPE) model is an implicit solvation model used to efficiently
incorporate solvent effects in quantum chemistry. Even within the recent direct approach, the …

Solvent effects add a new dimension for tuning the activity and selectivity of heterogeneous
catalytic reactions, which is extensively employed in the hydrogenation of unsaturated …

The liquid-phase direct partial oxidation of methane to methanol is highly desirable for
methane utilization. Using a combination of density functional theory and molecular …

In this work we present a comprehensive study of the influence of the solvent on the post-
synthetic modification (PSM) on the [Fe (NH2trz) 3](NO3) 2 spin crossover (SCO) complex …

Ru-Co 3 O 4 catalyst was prepared by the co-precipitation method. Its catalytic performance
in liquid-phase hydrogenation of CO 2 into methane was investigated, and compared with …

We present a simple semi-empirical model for solubility in organic solvents, based on the
conceptual density functional theory (CDFT) and inspired on the well-known empirical linear …

The unique physicochemical properties of PEG-400 were imparted to (L)-prolinamide to
afford a homogeneous, solvent-free, recyclable organocatalyst for scalable enantioselective …

Organophosphorus esters fulfil many industrial, agricultural, and household roles. Nature
has deployed phosphates and their related anhydrides as energy carriers and reservoirs, as …

Abstract An efficient and convergent (4+ 1)‐cycloaddition strategy toward the construction of
spirooxindole benzofurans that involves the intermediacy of an isatin‐derived …