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Electronic structure of stoichiometric and reduced ZnO from periodic relativistic all electron hybrid density functional calculations using numeric atom-centered orbitals.

Francesc ViñesFrancesc Illas
Published in: J. Comput. Chem. (2017)
Keyphrases
  • hierarchical structure
  • van der waals
  • database
  • databases
  • neural network
  • bayesian networks
  • multiscale
  • wireless sensor networks
  • probabilistic model
  • tree structure
  • geometric structure
  • thin film