|Posted on Tuesday, June 25, 2002 - 11:36 am: |
Hi - I'm looking to give WebMO a try: I'm especially interested in the NMR chemical shift calculations. I have the demo s/w installed and I can create a molecule, etc.
The problem is that we do not have GAUSSIAN, and it's quite expensive to buy just for a trial. We do, however, have Spartan, and my CC colleagues tell me that I might, in principle, be able to use that to calculate what's required. Is this so?
Mike Bernstein (NMR Spectroscopist, AstraZeneca)