. 2021 Feb 10;6(7):4816–4830. doi: 10.1021/acsomega.0c05793

Table 2. Lattice Energies (in kcal mol^–1) for Compounds 1–4 and Two Closely Related Crystals.

compound code	E_Coul	E_pol	E_disp	E_rep	E_tot
1	–18.1	–10.4	–43.3	36.4	–35.4
2	–25.5	–16.1	–48.0	46.2	–43.4
3	–25.3	–16.8	–47.8	46.0	–43.9
4	–14.9	–7.9	–37.3	25.5	–34.5
RAPNOO	–18.5	–11.0	–41.7	32.2	–40.3
RAPNII	–17.4	–9.8	–36.7	30.1	–36.3

Table 2. Lattice Energies (in kcal mol–1) for Compounds 1–4 and Two Closely Related Crystals.