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An interacting quantum atom study of model SN2 reactions (X-···CH3X, X = F, Cl, Br, and I).
Ibon Alkorta
Joseph C. R. Thacker
Paul L. A. Popelier
Published in:
J. Comput. Chem. (2018)
Keyphrases
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study proposes
theoretical framework
computational model
machine learning
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statistical model
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probabilistic model
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collaborative learning
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experimental data
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