Table 7. Molecular Properties Calculated Using DFT at the B3LYP/6-31G(d,p) Level for the Three Main Constituents in Their Neutral Form

From

Inhibition of C38 Steel Corrosion by Anethum graveolens Essential Oil in Acidic Medium: Gravimetric and Theoretical Studies

Malick Bathily, Khaly Cissé, Baba Ngom, Mohamed Znini, Diadioly Gassama

Chemical Engineering and Science. 2025, 10(1), 8-17 doi:10.12691/ces-10-1-2