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Díaz-Tinoco M, Ortiz JV. 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. Phys Chem Chem Phys. 2016;18(22):15456-7doi: 10.1039/c6cp01897a.
Díaz-Tinoco, M., & Ortiz, J. V. (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. Physical chemistry chemical physics : PCCP, 18(22), 15456-7. https://doi.org/10.1039/c6cp01897a
Díaz-Tinoco, Manuel, and Ortiz, J V. "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." Physical chemistry chemical physics : PCCP vol. 18,22 (2016): 15456-7. doi: https://doi.org/10.1039/c6cp01897a
Díaz-Tinoco M, Ortiz JV. 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. Phys Chem Chem Phys. 2016 Jun 01;18(22):15456-7. doi: 10.1039/c6cp01897a. PMID: 27194225.
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Phys Chem Chem Phys. 2016 Jun 01;18(22):15456-7. doi: 10.1039/c6cp01897a.

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.

Physical chemistry chemical physics : PCCP

Manuel Díaz-Tinoco, J V Ortiz

Affiliations

  1. Department of Chemistry and Biochemistry, Auburn University, 179 Chemistry Building, Auburn, AL 36849-5312, USA. [email protected].

PMID: 27194225 DOI: 10.1039/c6cp01897a

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.

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