From owner-chemistry@ccl.net Wed May 19 14:07:00 2010
From: "Sergio Emanuel Galembeck segalemb:_:usp.br" <owner-chemistry]*[server.ccl.net>
To: CCL
Subject: CCL: lack natural orbitals in a bond X-Y
Message-Id: <-41897-100519125125-862-GRN37/Jwo0g/DohHpkCG5g]*[server.ccl.net>
X-Original-From: Sergio Emanuel Galembeck <segalemb===usp.br>
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Date: Wed, 19 May 2010 13:51:11 -0300
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Sent to CCL by: Sergio Emanuel Galembeck [segalemb---usp.br]
Dear May,

    Do you need to take care, because frequently the resonance
structure obtained by NBO calculations doesn't correspond
to that with the largest weight.

                 Hope this help you,

                            Sergio



Citando "may abdelghani may01dz^yahoo.fr" <owner-chemistry**ccl.net>:

>
>
>
>
> NBO analysis for my complexes showed that they
> lack natural orbitals in the bond X-Y, it mean that:
>
> this bond is very weak one,there no bond=A0 at all,Or, as defined By =20
> AIM method, it is a result of a closed-shell interaction
>      or an intermediate closed-shell one.
>
> Any help is appreciate
>
>
>
>
>