Table 2. Energy parameters (eV) and dipole moment (D) of the C13 and mC13 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