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Comment on "Fe2: As simple as a Herculean labour. Neutral (Fe2), cationic (Fe2(+)), and anionic (Fe2(-)) species" [J. Chem. Phys. 142, 244304 (2015)].

Authors :
Hoyer CE
Li Manni G
Truhlar DG
Gagliardi L
Source :
The Journal of chemical physics [J Chem Phys] 2016 Jan 14; Vol. 144 (2), pp. 027101.
Publication Year :
2016

Abstract

A recent paper on Fe2 [A. Kalemos, J. Chem. Phys. 142, 244304 (2015)] critiqued our previous work on the system [Hoyer et al., J. Chem. Phys. 141, 204309 (2014)]. In this comment, we explain the nature of our previously reported potential energy curve for Fe2 and we discuss our computed properties for Fe2. Additionally, we fix a labeling error that was present in our previous work, although this error is unrelated to the main point of discussion.

Details

Language :
English
ISSN :
1089-7690
Volume :
144
Issue :
2
Database :
MEDLINE
Journal :
The Journal of chemical physics
Publication Type :
Academic Journal
Accession number :
26772588
Full Text :
https://doi.org/10.1063/1.4939241