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Scaling Dalton, A Molecular Electronic Structure Program.

Xavier AguilarMichael SchliephakeOlav VahtrasJudit GiménezErwin Laure
Published in: eScience (2011)
Keyphrases
  • data sets
  • molecular structures
  • databases
  • data mining
  • image sequences
  • relational databases
  • artificial neural networks
  • graphical models
  • electronic commerce
  • computer programs
  • drug discovery