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Table 2 Binding energy (ΔEb) and corrected binding energy (ΔEb) including BSSE of all the complexes (kJ/mol) in the gas phase

From: A new insight of structures, bonding and electronic properties for 6-mercaptopurine and Ag8 clusters configurations: a theoretical perspective

Complexes

ΔEb

ΔEb (BSSE)

ΔBSSE

Complexes

ΔEb

ΔEb (BSSE)

ΔBSSE

C1

39.00

33.72

5.28

C7

36.65

30.71

5.94

C2

54.98

48.70

6.28

C8

56.53

50.63

5.90

C3

44.39

39.12

5.27

C9

34.90

28.95

5.95

C4

43.39

36.44

6.95

C10

50.08

44.02

6.06

C5

52.76

46.61

6.15

    

C6

41.00

35.61

5.39