Issue 22, 2016

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

Abstract

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.

Associated articles

Article information

Article type
Comment
Submitted
21 Mar 2016
Accepted
05 May 2016
First published
05 May 2016

Phys. Chem. Chem. Phys., 2016,18, 15456-15457

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

M. Díaz-Tinoco and J. V. Ortiz, Phys. Chem. Chem. Phys., 2016, 18, 15456 DOI: 10.1039/C6CP01897A

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