The limitations are of course determined a lot by the available computer
resources.
On a normal modern PC you are probalby limited to clusters of 50 atoms,
while on a large supercomputer with 512 cores for your job you can
probably go up to much larger clusters.
The problem will anyway be
Dear all,
A colleague of mine who is doing experimental H-NMR measurements on molecules
grafted on gold nanoparticules asked me whether it is possible or not to run
NMR calculations. Since I have no experience at all on this kind of
calculation, I would like to know if someone could tell me
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