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. Author manuscript; available in PMC: 2022 Jun 28.
Published in final edited form as: J Chem Inf Model. 2021 Jun 7;61(6):2806–2817. doi: 10.1021/acs.jcim.1c00426

Figure 3:

Figure 3:

AMOEBA+ and QM interaction energies for F, Cl, Br, and I. QM total interaction energy is calculated by CCSD(T)/CBS, while energy components are calculated by SAPT2+. See Figure 2 caption for the description of the energy components.