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DFT investigation of the electronic structure of amphetamines: effect of substituent on O and N chemical shielding and electric field gradient tensors.

Zahra Fallah EbrahimiDavid J. D. Wilson
Published in: Int. J. Comput. Biol. Drug Des. (2015)
Keyphrases
  • electric field
  • data sets
  • tree structure
  • structural information
  • structural features
  • gradient method