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An Application of the Reaction Field Theory to Hydrated Metal Cations in the Framework of the MNDO, AM1, and OM3 Methods.
Takao Furuki
Minoru Sakurai
Yoshio Inoue
Published in:
J. Comput. Chem. (1995)
Keyphrases
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theoretical framework
preprocessing
main contribution
significant improvement
benchmark datasets
logical framework
database
neural network
qualitative and quantitative
data representations