Subject: G98 shielding calculation using isotopes?

From: Yugal Sharma <[email-masked]>
Date: Wed, 9 Aug 2000 14:58:30 -0400

Hi,

I am currently running Gaussian 98 (SGI-G98RevA.6) to calculate NMR
shielding tensors for various residues in a protein.  I was wondering
if anyone knew of a way to incorporate different isotopes into the
calculations (e.g. calculating the shielding for 15N versus the
default for 14N)?  Thanks much.

  Best regards,
      Yugal

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Yugal Sharma                         Tel: (301) 402-0617
National Institutes of Health        Email: [email-masked]
Bethesda, MD  USA
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