On Jul 30, 2004, at 5:22 AM, Miguel wrote:
I have occassionally received questions from people regarding the values
used. As I recall, people have said that the vdw radii for some elements
are larger than one would expect (or perhaps larger than some other
software package).
Van der Waals radii unfortunately are somewhat controversial. You see, there are a number of ways to define a vdW radius and so you won't find them in the CRC Handbook.
So from program to program, there will be different vdw radii.
I don't think this will be solved anytime soon, and most commercial packages include default radii and allow some user preferences to change them if needed.
-Geoff
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