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Topic: estimating van der walls radii  (Read 2655 times)

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Offline yanks6621

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estimating van der walls radii
« on: February 26, 2007, 06:13:01 PM »
I have been asked to estimate van der walls radii in which the potential is 0. I believe to do this I need to take the derivative of the Lennard Jones equation with respect to r. But how is this done....

Vvdw = A/r12 - B/r6
Do A and B just act as constants?

Offline Yggdrasil

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Re: estimating van der walls radii
« Reply #1 on: February 26, 2007, 09:12:53 PM »
Yes, you can treat A and B as constants.

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