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. 2018 Dec 17;23(12):3341. doi: 10.3390/molecules23123341

Table 2.

Computed (CCSD(T)/def2-TZVPP//B3LYP-D3/def2-TZVP) RSE (kcal/mol) using homodesmotic (RC4) or hyperhomodesmotic (RC5) reaction schemes.

RSERC4 RSERC5
1a 49.90 49.08
2a 7.53 4.59
14 36.83 41.99