From owner-chemistry@ccl.net Wed Apr 29 16:25:01 2009
From: "Jerome Kieffer Jerome.Kieffer*terre-adelie.org" <owner-chemistry/./server.ccl.net>
To: CCL
Subject: CCL:G: G03: NMR Spin coupling and readatoms
Message-Id: <-39208-090429160339-7666-wkALTZx1620obpeaWUDH8Q/./server.ccl.net>
X-Original-From: Jerome Kieffer <Jerome.Kieffer^_^terre-adelie.org>
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Date: Wed, 29 Apr 2009 22:03:42 +0200
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Sent to CCL by: Jerome Kieffer [Jerome.Kieffer#,#terre-adelie.org]

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Dear CCLers,

I encountered a problem trying to calculate the spin-spin NMR coupling for =
a
limited set of atoms using the "readatoms" option of the NMR keywork in
Gaussian'03 (rev E01).=20
Many problems have been reported on this mailing list regarding this
option/keyword but no answer seemed to have been posted.=20
Is the IOp(10/48=3D10) equivalent to the readatoms ?
Thanks for your help.

With my best regards,

Jerome Kieffer
--
J=C3=A9r=C3=B4me Kieffer
http://www.terre-adelie.org


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Dear CCLers,<br />
<br />
I encountered a problem trying to calculate the spin-spin NMR coupling for =
a limited set of atoms using the &quot;readatoms&quot; option of the NMR =
keywork in Gaussian'03 (rev E01). <br />
Many problems have been reported on this mailing list regarding this =
option/keyword but no answer seemed to have been posted. <br />
Is the IOp(10/48=3D10) equivalent to the readatoms ?<br />
Thanks for your help.<br />
<br />
With my best regards,<br />
<br />
Jerome Kieffer<hr style=3D"border:dotted 1px silver; width:90%; =
border:dotted 1px silver;">J&eacute;r&ocirc;me Kieffer<br />
http://www.terre-adelie.org



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