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DFT studies using supercells and projector-augmented waves for structure, energetics, and dynamics of glycine, alanine, and cysteine.

R. MaulFrank OrtmannMartin PreussKarsten HannewaldFriedhelm Bechstedt
Published in: J. Comput. Chem. (2007)
Keyphrases
  • database
  • empirical studies
  • structural information
  • real time
  • e learning
  • feature extraction
  • multi agent
  • dynamical systems
  • dynamic model
  • dynamic behavior