Subject: NMR-Calculation/MO-Contribution

From: ge81 <[email-masked]>
Date: Sat, 29 Mar 1997 21:30:07 +0100 (MET)

Dear CCL'ers

I am performing some NMR shift calculations with Gaussian 94
and would like to know whether the program is capable of calculating
MO contributions to the magnetic shielding.
In a recent paper (Tetrahedron Lett. 1997, p. 323) this has been done,
but no according keyword is mentioned in the Gaussian handbook.
Perhaps there are other programs which can do the job ?

Thanks in advance for your answers

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Christian Mück-Lichtenfeld
Institut für Organische Chemie
Heinrich-Buff-Ring 58
D-35392 Gießen
Germany
E-Mail: [email-masked]

Date: 29-Mar-97    Time: 21:30:07
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