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Machine Learning of Semiempirical Parameters

Posted on by Pavlo Dral Posted in Featured Publication, News — No Comments ↓

P. O. Dral, O. A. von Lilienfeld, W. Thiel, Machine Learning of Parameters for Accurate Semiempirical Quantum Chemical Calculations. J. Chem. Theory Comput. 2015, 11, 2120–2125.

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