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Multireference Methods for Calculating the Dissociation Enthalpy of Tetrahedral P4 to Two P2

Electronic Structure - Modeling Properties

Publication Details

  • Authors: M. S. Oakley, J. J. Bao, M. Klobukowski, D. G. Truhlar, and L. Gagliardi
  • Publication Number: 304
  • Year: 2018
  • Journal: J. Phys. Chem. A
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Full Citation

M. S. Oakley, J. J. Bao, M. Klobukowski, D. G. Truhlar, and L. Gagliardi, Multireference Methods for Calculating the Dissociation Enthalpy of Tetrahedral P4 to Two P2, J. Phys. Chem. A, 2018, 122, 5742–5749. DOI: 10.1021/acs.jpca.7b12366