Local minima for the PtSi_n (n=2-11) neutral and anionic clusters

Zenodo (CERN European Organization for Nuclear Research) 2026 Dataset Open access

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Authors: José Manuel Guevara‐Vela
DOI: 10.5281/zenodo.18611734
Cited by: 0

Abstract

XYZ files corresponding to the population of local minima for the PtSi_n (n=2-11) clusters in its neutral and anionic forms computed with the PBE0 functional using the Def2-TZVP basis set.

Fields of Study & Subjects

Advanced Chemical Physics Studies Machine Learning in Materials Science Inorganic Chemistry and Materials

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
11 February 2026
Language
EN
Document type
Dataset