Finding Van der Waals Distances for C-C Spatial Interactions

AI Thread Summary
Van der Waals distances for carbon-carbon (C-C) spatial interactions typically range from 30 to 50 nm, with interaction strengths around tens of meV per atom. For estimating total energy contributions from these interactions, using a Lennard-Jones potential is recommended for more accurate calculations. A rough approximation can be made by considering half the bond length of the relevant species. Further details about the specific interactions in question would help refine the advice. Accurate modeling is essential for understanding the energy contributions of C-C interactions.
greisen
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Hi,

I am looking for table or something that gives a tumb of rule for van der Waals distances - I have some C C spatial interactions which I would like to determine if their interaction contributes to the total energy or should I calculate it with a Lennard-Jones potential to get an estimation?

Any advise appreciated.
Best Regards
 
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I would assume that one half of the bond length of the species of interest would be a close approximation.
 
greisen said:
Hi,

I am looking for table or something that gives a tumb of rule for van der Waals distances - I have some C C spatial interactions which I would like to determine if their interaction contributes to the total energy or should I calculate it with a Lennard-Jones potential to get an estimation?

Any advise appreciated.
Best Regards
Can you give us a fuller description of the problem? C~C interactions have typical vdW strengths (10s of meV/atom) at separations of 30 to 50 nm.
 
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