Tables index

From

Exploring Potential Energy Surface with Mathematica: An Algorithmic Demonstration of Minimum Energy Path, Stationary Points and Transition State

Krishnamohan G. P., Omar H., Sreeja T. D., Roy K. B.

World Journal of Chemical Education. 2022, 10(4), 124-130 doi:10.12691/wjce-10-4-1
  • Table 1. Construction of the MB-PES
  • Table 2. Finding the exact positions of the TS and stationary points
  • Table 3. Imaginary mode of TS1
  • Table 4. Imaginary mode of TS2
  • Table 5. MEP algorithm demonstration from the TS1 to reactant and to the intermediate
  • Table 6. Complete MEP from the TS1 state towards reactant and the product positions
  • Table 7. Properties of the main locations at the PES