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Royal Society of Chemistry, Physical Chemistry Chemical Physics, 36(21), p. 20118-20131, 2019

DOI: 10.1039/c9cp01927h

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A charge optimized many-body potential for iron/iron-fluoride systems

Journal article published in 2019 by E. Tangarife, A. H. Romero ORCID, J. Mejía-López ORCID
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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Abstract

A classical interatomic potential for iron/iron-fluoride systems is developed in the framework of the charge optimized many-body (COMB) potential.