Table 5 Quantum chemical parameters for BMT.

From: Insights into the newly synthesized bi- Mannich base for carbon steel corrosion inhibition in H2S and HCl solution

Quantum parameters

EHOMO (eV)

ELUMO (eV)

ΔE (ELUMO—EHOMO) (eV)

μ (D)

I

A

χ (eV)

γ (eV)

ΔN

BMT

− 5.872

− 3.141

2.731 eV

0.8817

5.872

3.141

4.5065

1.3655

0.9130

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