Possible mechanism of BN fullerene formation from a boron cluster: Density-functional tight-binding molecular dynamics simulations.

Yasuhito Ohta
Published in: J. Comput. Chem. (2016)
Keyphrases
  • molecular dynamics simulations
  • bayesian networks
  • lower bound
  • molecular dynamics
  • data mining
  • clustering algorithm
  • databases
  • database systems
  • arbitrary shape