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Anomerization reaction of bare and microhydrated d-erythrose via explicitly correlated coupled cluster approach. Two water molecules are optimal.

Marek SzczepaniakJerzy Moc
Published in: J. Comput. Chem. (2017)
Keyphrases
  • clustering algorithm
  • chemical reactions
  • database
  • data points
  • optimal solution
  • machine learning
  • information retrieval
  • image sequences
  • similarity measure
  • upper bound
  • hierarchical structure
  • optimal control