Table 3 Quantum parameters for Casein and Rhamnolipids inhibitor.

\(\:{E}_{HOMO}\left(eV\right)\)

− 5.22

− 4.61

\(\:{E}_{LUMO}\left(eV\right)\)

− 0.50

− 1.21

\(\:{\Delta\:}{E}_{gap}\:\left(eV\right)\)

4.72

3.40

\(\:\eta\:\:\left(eV\right)\)

2.36

1.70

\(\:\sigma\:\:{\left(eV\right)}^{-1}\)

0.424

0.588

\(\:\mu\:\:\left(eV\right)\)

− 2.86

− 2.91

\(\:\chi\:\left(eV\right)\)

2.86

2.91

\(\:\omega\:\:\left(eV\right)\)

1.73

2.49

\(\:{\omega\:}^{+}\left(eV\right)\)

0.59

1.25

\(\:{\omega\:}^{-}\left(eV\right)\)

3.46

4.16

\(\:{{\Delta\:}E}_{\text{b}\text{a}\text{c}\text{k}-\text{d}\text{o}\text{n}\text{a}\text{t}\text{i}\text{o}\text{n}}\left(eV\right)\)

− 0.59

− 0.43

Q_NBO(e)

(O atoms − 0.57 to − 0.72) (N atoms − 0.63 to − 0.91)

(O atoms −  0.44 to − 0.73)