Chemistry 412 - Computational Organic Chemistry - FS99

Specific Exercise

on Properties of Functions

In the lecture, we discussed parabolic functions, their gradients and their curvature. Be sure to be able to reproduce these functions.

Consider a Morse-type function, y=f(x). Draw the gradient and the curvature of this function as a function of x.

Consider the potential energy diagram for the Walden inversion of ammonia. Realize that this function can be thought of as composed of three parabolic functions. Draw the gradient and the curvature of this function as a function of x.

Consider the potential energy diagram for the rotational isomerization of ethane. Draw the gradient and the curvature of this function as a function of x.