Investigation of the Stability Mechanisms of Eight-Atom Binary Metal Clusters Using DFT Calculations and k‑means Clustering Algorithm - Orlando Morais, Felipe; Andriani, Karla F; Da Silva, Juarez L. F (Journal of chemical information and modeling, 2021)
Keywords: Algorithms; Aluminum; Cluster analysis; Clustering; Cobalt; Computational Chemistry; Copper; Correlation analysis; Density functional theory; Intermetallic compounds; Iron; Magnetic moments; Mathematical analysis; Metal clusters; Molecular orbitals; Nickel aluminides; Nickel base alloys; Nickel compounds; Stability analysis; Vector quantization