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Parametrization of Combined Quantum Mechanical and Molecular Mechanical Methods: Bond-Tuned Link Atoms

Classical Simulations Electronic Structure - Methods

Publication Details

  • Authors: X.-P. Wu, L. Gagliardi, and D. G. Truhlar
  • Publication Number: 303
  • Year: 2018
  • Journal: Molecules

Full Citation

X.-P. Wu, L. Gagliardi, and D. G. Truhlar, Parametrization of Combined Quantum Mechanical and Molecular Mechanical Methods: Bond-Tuned Link Atoms, Molecules, 2018, 23, 1309. DOI: 10.3390/molecules23061309