机译:基于QTAIM方法的二乙烯二氢萘相对苯环中碳原子间双简并键路径的分子内p-p相互作用行为
Wakayama Univ;
Ab initio calculations; Atoms-in-molecules (QTAIM); bond path; structures; van der Waals interactions; INTERNAL VIBRATIONS; MOLECULES THEORY; 3RD-ROW ATOMS; BASIS-SETS; WEAK; AIM; EXTENSION;