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. 2021 Apr 5;125(14):2885–2894. doi: 10.1021/acs.jpca.1c00629

Table 1. Interaction Energy (kcal/mol) of the Structures Presented in Figure 3a.

structure E ECP
2L1a –6.9 –1.1
2L1b –11.9 –4.1
2L1c –12.7 –7.2
2L1d –11.2 –8.7
2L1e –13.7 –11.0
2L1f –17.6 –14.4
2L1g –24.8 –20.7
a

E and ECP are interaction energies without and with correction for BSSE.