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DFT assessment of the spectroscopic constants and absorption spectra of neutral and charged diatomic species of group 11 and 14 elements.

Athanassios C. Tsipis
Published in: J. Comput. Chem. (2014)
Keyphrases
  • frequency domain
  • discrete fourier transform
  • machine learning
  • decision making
  • multiscale
  • fourier transform
  • neural network
  • feature extraction
  • principal component analysis