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AMOEBA Force Field Parameterization of the Azabenzenes

Classical Simulations

Publication Details

  • Authors: D. Semrouni, C. J. Cramer, and L. Gagliardi
  • Publication Number: 199
  • Year: 2015
  • Journal: Theor. Chem. Acc.
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Full Citation

D. Semrouni, C. J. Cramer, and L. Gagliardi, AMOEBA Force Field Parameterization of the Azabenzenes, Theor. Chem. Acc., 2015, 134, 1590. DOI: 10.1007/s00214-014-1590-6