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Modeling the spectral properties of poly(x-phenylenediamine) conducting polymers using a combined TD-DFT and electrostatic embedding approach.

Davide LuiseMassimo Christian D'AlterioGiovanni TalaricoIlaria CiofiniFrédéric Labat
Published in: J. Comput. Chem. (2022)
Keyphrases
  • combining multiple
  • learning algorithm
  • modeling method
  • data sets
  • fourier transform
  • data hiding