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A DFT/machine-learning hybrid method for the prediction of 3 JHCCH couplings

Armando Navarro-Vázquez1

  • 1Departamento de Química Fundamental, CCEN, Universidade Federal de Pernambuco, Recife, Pernambuco, Brazil.

Magnetic Resonance in Chemistry : MRC
|August 19, 2020
PubMed

Keywords:
DFTmachine learningpredictionvicinal couplings

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