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Investigating detailed mechanism of hydrogen molecules adsorbing on single-wall carbon nanotubes using fitted force field parameters containing carbon-carbon interactions.

Chui-Peng KongXin GaoRan JiaHong-Xing Zhang
Published in: J. Comput. Chem. (2019)
Keyphrases
  • carbon nanotubes
  • force field
  • neural network
  • maximum likelihood
  • parameter estimation
  • active contour model
  • active contours
  • image sequences
  • steady state