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)-Reference-Cited by-同舟云学术

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)

Published:2023 Issue:35 Volume:13 Page:24499-24504
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Báez-Grez Rodrigo¹^ORCID,Inostroza Diego¹²,Vásquez-Espinal Alejandro³^ORCID,Islas Rafael¹⁴,Pino-Rios Ricardo³⁵

Affiliation:

1. Departamento de Ciencias Químicas, Facultad de Ciencias Exactas, Universidad Andres Bello, República 275, Santiago, Chile, 8370146

2. Doctorado en Fisicoquímica Molecular, Facultad de Ciencias Exactas, Universidad Andres Bello, República 275, Santiago, Chile

3. Química y Farmacia, Facultad de Ciencias de la Salud, Universidad Arturo Prat, Casilla 121, Iquique, Chile, 1100000

4. Centro de Química Teórica & Computacional (CQT&C), Facultad de Ciencias Exactas, Universidad Andres Bello, República 275, Santiago, Chile, 8370146

5. Instituto de Estudios de la Salud, Universidad Arturo Prat, Casilla 121, Iquique, Chile, 1100000

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.

Funder

Fondo Nacional de Desarrollo Científico y Tecnológico

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2023/RA/D3RA04308H

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