This article describes how the adsorption behaviors of various kinds of amino acids onto kaolinite surfaces were investigated by the quantum-chemical calculations and the quantitative structure-property relationships (QSPR). The QSPR results revealed that both adsorption energies of amino acids...

A heterogeneous Ziegler–Natta (ZN) catalyst is an important catalyst in the field of the polypropylene polymerization industry. The role of electron donors has been crucial in the ZN catalyzed polypropylene polymerization process. In this article, quasi-SMILES-based QSPR models are elaborated...