Comment on "Is the regulation of the electronic properties of organic molecules by polynuclear superhalogens more effective than that by mononuclear superhalogens? A high-level ab initio case study'' by M.-M. Li, J.-F. Li, H.-C. Bai, Y.-Y. Sun, J.-L. Li and B. Yin, Phys. Chem. Chem. Phys., 2015, 17, 20338

被引：6

作者：

Diaz-Tinoco, Manuel ^{[1
]}

Ortiz, J. V. ^{[1
]}

机构：

[1] Auburn Univ, Dept Chem & Biochem, 179 Chem Bldg, Auburn, AL 36849 USA

来源：

PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2016年 / 18卷 / 22期

基金：

美国国家科学基金会;

关键词：

D O I：

10.1039/c6cp01897a

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The Outer Valence Green Function (OVGF) and coupled-cluster singles and doubles plus approximate triples, or CCSD(T), methods yield similar results for the vertical detachment energies of superhalides studied recently by Li et al. The success of the OVGF method contradicts claims by Li et al. in their recent article.

引用

页码：15456 / 15457

页数：2