Talk:LouisaOHare

Regarding the curvature and stationary points - you must be more precise. This is a real, mathematical property of a surface. A minimum on a PES is where the total gradient is 0, and the curvature is positive in all coordinates. A TS also has a value of 0 for the gradient in all coordinates, but there is a negative curvature for one coordinate - the reaction coordinate.

Your MEP calculation is not converged for the F+H2 reaction (non-zero gradient)