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Anomerization reaction of bare and microhydrated d-erythrose via explicitly correlated coupled cluster approach. Two water molecules are optimal.
Marek Szczepaniak
Jerzy Moc
Published in:
J. Comput. Chem. (2017)
Keyphrases
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clustering algorithm
chemical reactions
database
data points
optimal solution
machine learning
information retrieval
image sequences
similarity measure
upper bound
hierarchical structure
optimal control