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. 2016 May 3;8:24. doi: 10.1186/s13321-016-0133-7

Table 1.

The mean values (kcal/mol) of CCSD(T)/CBS benchmark interactions and the number of four NCI-dominated molecular complexes

Types Number Mean
H-bonded complexes 29 −10.33
Dispersion complexes 30 −3.94
Mixed complexes 26 −3.70
Halogen complexes 36 −3.43