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. 2015 Dec 17;7(3):1954–1961. doi: 10.1039/c5sc04385a

Table 2. Results of EDA analysis for 1-small, 1-full and 14–-small models ((PBE0/TZ2P/ZORA) in kcal mol–1).

Parameters 1-small 1-full 1 4–-small
DEint –942.57 –786.63 –1536.03
DEelstat –853.45 –760.52 –1452.97
DEorb –241.89 –200.84 –341.41
DEPauli +152.77 +174.73 +258.35