WebMO - Computational chemistry on the WWW
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March 31, 2020

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Author Message
Michael Bernstein
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)

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