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Does the radical GPRI strongly depend on the population scheme? A comparative study to predict radical attack on unsaturated molecules with the radical general-purpose reactivity indicator.

Yoshio BarreraJames S. M. Anderson
Published in: J. Comput. Chem. (2024)
Keyphrases
  • general purpose
  • programming language
  • data sets
  • domain specific
  • comparative study
  • classification scheme