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Optimal scaling factors for CM1 and CM3 atomic charges in RM1-based aqueous simulations.

Jonah Z. VilseckSomisetti V. SambasivaraoOrlando Acevedo
Published in: J. Comput. Chem. (2011)
Keyphrases
  • scaling factors
  • optimal solution
  • fuzzy logic controller
  • data mining
  • learning algorithm
  • membership functions
  • control parameters