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