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Can the hybrid meta GGA and DFT-D methods describe the stacking interactions in conjugated polymers?

Ahmed DkhissiJean Marie DucéréRalf BlosseyClaude Pouchan
Published in: J. Comput. Chem. (2009)
Keyphrases
  • computational cost
  • machine learning methods
  • data mining
  • benchmark datasets
  • information retrieval
  • preprocessing
  • significant improvement
  • simulated annealing
  • data mining techniques
  • qualitative and quantitative