Table 1. Energy parameters (eV) and the dipole moment (D) of the C10 and mC10 isomers calculated at the B3LYP / 6-311G (d, p) level taking into account solvation (Solvent: water; IEFPCM)

From

Predictive Study of the Influence of the Position of the Sulfonate Substituent on the Chemical Stability of Some Linear Alkylbenzene Sulfonate Isomers

Jean Missa Ehouman, Kadjo François Kassi, Georges Stéphane Dembélé, Lamoussa Ouattara, Yafigui Traoré, Nahossé Ziao

Journal of Materials Physics and Chemistry. 2021, 9(2), 70-76 doi:10.12691/jmpc-9-2-5