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On the suitability of strictly localized orbitals for hybrid QM/MM calculations.
Arianna Fornili
Yohann Moreau
Maurizio Sironi
Xavier Assfeld
Published in:
J. Comput. Chem. (2006)
Keyphrases
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hybrid approaches
hybrid learning
rms error
data sets
databases
data mining
artificial intelligence
expert systems
average error