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C--H bond activation of methane in aqueous solution: A hybrid quantum mechanical/effective fragment potential study.

Júlio C. S. da SilvaWillian R. Rocha
Published in: J. Comput. Chem. (2011)
Keyphrases
  • theoretical framework
  • knowledge base
  • optimal solution
  • study proposes
  • databases
  • neural network
  • genetic algorithm
  • information systems
  • search algorithm
  • lower bound
  • empirical studies
  • optimization method