Figure 4. E2 elimination reaction of 2-iodopropane to propene depicted with the optimized starting structure and transition state (TS) at the DFT (B3LYP/def2-TZVP) level

From

An Undergraduate Computational Chemistry Experiment: Investigation of the E2 Elimination Reaction of 2-Bromopropane to Propene

Monsurat M. Lawal, Tugba G Kucukkal

World Journal of Chemical Education. 2024, 12(1), 13-18 doi:10.12691/wjce-12-1-3