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Extended separated-pair approximation for transition metal potential energy curves

Electronic Structure - Modeling Properties

Publication Details

  • Authors: S. J. Li, L. Gagliardi, and D. G. Truhlar
  • Publication Number: 360
  • Year: 2020
  • Journal: J. Chem. Phys.

Full Citation

S. J. Li, L. Gagliardi, and D. G. Truhlar, Extended separated-pair approximation for transition metal potential energy curves, J. Chem. Phys., 2020, 152, 124118. DOI: 10.1063/5.0003048