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Generalized Prediction of Enthalpies of Formation Using DLPNO-CCSD(T) Ab Initio Calculations for Molecules Containing the Elements H, C, N, O, F, S, Cl, Br.

Detlev Conrad MielczarekChourouk Nait SaidiPatrice ParicaudLaurent Catoire
Published in: J. Comput. Chem. (2019)
Keyphrases
  • prediction accuracy
  • protein structure prediction
  • prediction algorithm
  • prediction error
  • database
  • data mining
  • computer vision
  • expert systems
  • motion estimation
  • prediction model