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Emerging DFT Methods and Their Importance for Challenging Molecular Systems with Orbital Degeneracy.

Emilio San-Fabián MarotoJuan Carlos Sancho-García
Published in: Comput. (2019)
Keyphrases
  • significant improvement
  • database
  • management system
  • information retrieval
  • neural network
  • knowledge base
  • three dimensional
  • preprocessing
  • expert systems
  • computational cost
  • empirical studies