Are zinc clusters really amorphous? A detailed protocol for locating global minimum structures of clusters.
Sign Up to like & getrecommendations! Published in 2018 at "Nanoscale"
DOI: 10.1039/c8nr05517c
Abstract: We report the results of a conjoint experimental/theoretical effort to assess the structures of free-standing zinc clusters with up to 73 atoms. Experiment provides photoemission spectra for ZnN- cluster anions, to be used as fingerprints… read more here.
Keywords: minimum structures; structures clusters; global minimum; clusters really ... See more keywords
Search for Global Minimum Structures of P2n+1+ (n = 1–15) Using xTB-Based Basin-Hopping Algorithm
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DOI: 10.3389/fchem.2021.694156
Abstract: A new program for searching global minimum structures of atomic clusters using basin-hopping algorithm based on the xTB method was developed here. The program can be performed with a much higher speed than its replacement… read more here.
Keywords: hopping algorithm; minimum structures; global minimum; program ... See more keywords