Talk:Jp3915Y2
Exercise 1
Q1: You're right about the gradient = 0 at the minima and the TS. But you're mistaken about the curvature discussion. The Potential Energy Surface (PES) is a two-dimensional function, so you need to use partial derivatives to be more precise. The TS is a saddle point, or in other words, it is a maximum along one of the directions and a minimum along the other one simultaneously. So one of the second partial derivatives is < 0 and the other one is > 0. Take a look at this (https:// www.wikiwand.com/en/Second_partial_derivative_test) to clarify this point.
Q5: Good discussion of TST limitations.
Exercise 2
Q7: Could have provided a screen shot of the TS geometry.
Q8: Congrats on using the MEP from the TS geometry to get an accurate value for the Energies of Activation.
Q9-Q10: Good discussion with examples.