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Description of halogen bonding in semiempirical quantum-mechanical and self-consistent charge density-functional tight-binding methods.

Jan Rezác
Published in: J. Comput. Chem. (2019)
Keyphrases
  • significant improvement
  • database
  • preprocessing
  • cross validation
  • image segmentation
  • high level
  • lower bound
  • decision trees
  • computational cost
  • high dimensional data
  • statistical methods
  • qualitative and quantitative