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Beni-Suef University Journal of Basic and Applied Sciences

Table 5 Global reactivity descriptors of Y-1

From: Computer aided design of novel antibiotic drug candidate against multidrug resistant strains of Salmonella typhi from pyridine-substituted coumarins

Ligand

HOMO

(eV)

LUMO

(eV)

ΔE

(eV)

µ

(eV)

η

(eV)

ω (eV)

Y-1

− 4.9

− 1.46

3.44

− 3.18

1.72

1.47

CiproF

− 5.63

− 1.25

4.38

− 3.44

2.19

2.70

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