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Hildebrand and Hansen solubility parameters from Molecular Dynamics with applications to electronic nose polymer sensors.

M. BelmaresM. BlancoW. A. Goddard IIIR. B. RossG. CaldwellS.-H. ChouJ. PhamP. M. OlofsonCristina Thomas
Published in: J. Comput. Chem. (2004)
Keyphrases
  • molecular dynamics
  • electronic nose
  • sensor array
  • molecular dynamics simulations
  • sensor networks
  • sensor data
  • high performance computing
  • load balancing
  • scientific data
  • quality evaluation
  • data generation