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Multiconfiguration Pair-Density Functional Theory for Transition Metal Silicide Bond Dissociation Energies, Bond Lengths, and State Orderings

Electronic Structure - Methods

Publication Details

  • Authors: M. S. Oakley, L. Gagliardi, and D. G. Truhlar
  • Publication Number: 390
  • Year: 2021
  • Journal: Molecules

Full Citation

M. S. Oakley, L. Gagliardi, and D. G. Truhlar, Multiconfiguration Pair-Density Functional Theory for Transition Metal Silicide Bond Dissociation Energies, Bond Lengths, and State Orderings, Molecules, 2021, 26, 2881. DOI: 10.3390/molecules26102881