Exploration of the potential energy surface in mixed Zintl clusters applying an automatic Johnson polyhedra generator: the case of arachno E6M24− (E = Si, Ge, Sn; M = Sb, Bi)

Báez-Grez, Rodrigo; Inostroza, Diego; Vásquez-Espinal, Alejandro; Islas, Rafael; Pino-Rios, Ricardo

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Royal Society of Chemistry, RSC Advances, 35(13), p. 24499-24504, 2023

DOI: 10.1039/d3ra04308h

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Exploration of the potential energy surface in mixed Zintl clusters applying an automatic Johnson polyhedra generator: the case of arachno E6M24− (E = Si, Ge, Sn; M = Sb, Bi)

Journal article published in 2023 by Rodrigo Báez-Grez

, Diego Inostroza, Alejandro Vásquez-Espinal

, Rafael Islas, Ricardo Pino-Rios

This paper is made freely available by the publisher.

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Abstract

A new algorithm is introduced, Automatic Johnson Cluster Generator (AJCG), which allows the systematic exploration of three-dimensional compounds such as boranes or Zintl clusters and their structural derivatives with two or more different atoms.

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Exploration of the potential energy surface in mixed Zintl clusters applying an automatic Johnson polyhedra generator: the case of arachno E<sub>6</sub>M<sub>2</sub><sup>4−</sup> (E = Si, Ge, Sn; M = Sb, Bi)

Abstract