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Table 3 Fukui indices for electrophilic and nucleophilic attack for compound 6d

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

7

6

0.0001

0

0

8

7

0.016

0

0.008

9

8

0.0001

0

0

10

8

0.9837

0

0.4918

39

6

0

0.0002

0.0001

40

6

0

0.0043

0.0021

41

0

0.5581

0.2791

0.5581

42

0

0.0034

0.0017

0.0034

43

0

0.4335

0.2167

0.4335

44

0

0.0003

0.0001

0.0003

45

0

0.0001

0

0.0001

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BMC Chemistry

ISSN: 2661-801X

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