Th doped carbon clusters ThCn (n = 1–7): Stability and bonding natures
Sign Up to like & getrecommendations! Published in 2019 at "Computational and Theoretical Chemistry"
DOI: 10.1016/j.comptc.2019.05.003
Abstract: Abstract The hybrid HF/DFT functionals in conjunction with small-core pseudopotential have been employed to investigate the geometric and electronic structures of small ThCn (n = 1–7) clusters. The fan-type isomers were found to be more stable than… read more here.
Keywords: doped carbon; carbon clusters; stability bonding; stability ... See more keywords