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Predicting adsorption enthalpies on silicalite and HZSM-5: A benchmark study on DFT strategies addressing dispersion interactions.

Cheng-chau ChiuGeorgi N. VayssilovAlexander GenestArmando BorgnaNotker Rösch
Published in: J. Comput. Chem. (2014)
Keyphrases
  • neural network
  • data mining
  • data sets
  • mobile robot
  • wavelet transform
  • frequency domain
  • quantitative evaluation
  • optimal strategy