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What value does the total gradient of the potential energy surface have at a minimum and at a transition structure? Briefly explain how minima and transition structures can be distinguished using the curvature of the potential energy surface.
At both a minimum and at a transition structure in the potential energy surface, the total gradient is 0. However, the transition state - defined as the maximum on the minimum potential energy path linking reactants and the products - hence corresponds to a maximum on the potential energy surface. This can be distinguished from the (image1)