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Correlation between thermal conductivity and bond length alternation in carbon nanotubes: A combined reverse nonequilibrium molecular dynamics - Crystal orbital analysis.

Mohammad AlaghemandiJoachim SchulteFrédéric LeroyFlorian Müller-PlatheMichael C. Böhm
Published in: J. Comput. Chem. (2011)
Keyphrases
  • molecular dynamics
  • neural network
  • data analysis
  • thermal conductivity
  • databases
  • computing systems