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. 2020 Feb 13;124(10):2046–2056. doi: 10.1021/acs.jpca.0c00257

Table 7. Binding (Eb) and Interaction Energies (Eint) (kcal/mol) of ZF3 Complexes with Three NH3, Calculated at the MP2/aug-cc-pVDZ (I) and CCSD(T)/aug-cc-pVDZ (II) Levels of Theorya.

  Eb
Eint
  (I) (II) (I) (II)
(H3N)3···ZF3
(NH3)3···PF3 –10.14 –10.32 –11.86 –11.90
(NH3)3···AsF3 –17.39 –17.17 –20.64 –20.30
(NH3)3···SbF3 –27.15 –26.50 –34.68 –31.50
(NH3)3···BiF3 –34.43 –33.92 –40.24 –39.63
a

All values corrected for BSSE.