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Table 4 Fukui indices for electrophilic and nucleophilic attack for compound 6f

From: Computational and theoretical chemistry of newly synthesized and characterized 2,2’-(5,5’-(1,4-phenylene)bis(1H-tetrazole-5,1-diyl))bis-N-acetamides

Atom

Atomic number

f−k

f + k

f0

1

6

0

0.0001

0

2

6

0

0.0001

0

3

6

0

0.0005

0.0003

4

6

0

0.0004

0.0002

5

6

0

0.0003

0.0001

6

6

0

0

0

7

6

0

0.0003

0.0001

8

6

0

0

0

9

7

0.0001

0.0039

0.002

10

7

0

0.4526

0.2263

11

7

0

0.5326

0.2663

27

6

0.0001

0.0008

0.0005

28

6

0.0001

0.0005

0.0003

29

7

0.009

0.0009

0.005

30

8

0

0

0

31

6

0.4997

0.0007

0.2502

32

6

0.0112

0.0003

0.0057

33

6

0

0.0002

0.0001

34

6

0

0

0

35

6

0.0138

0

0.0069

36

6

0.4659

0

0.233

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BMC Chemistry

ISSN: 2661-801X

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