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)

doi:10.1039/d3ra04308h

DOI: 10.1039/d3ra04308h ISSN:

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)

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

General Chemical Engineering
General Chemistry

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.

Outline

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)

More from our Archive