From owner-chemistry@ccl.net Fri Mar 13 09:19:01 2015
From: "=?iso-8859-1?Q?V=EDctor_Lua=F1a?= Cabal victor#%#fluor.quimica.uniovi.es" <owner-chemistry],[server.ccl.net>
To: CCL
Subject: CCL: How to calculate solvation energy
Message-Id: <-51110-150313072701-10636-K7V8DzUnn8FquCzm0p7Iwg],[server.ccl.net>
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Date: Fri, 13 Mar 2015 12:22:20 +0100
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Sent to CCL by: =?iso-8859-1?Q?V=EDctor_Lua=F1a?= Cabal [victor[-]fluor.quimica.uniovi.es]
On Wed, Mar 11, 2015 at 06:42:17AM -0400, Christina MSC christinamsc*_*gmail.com wrote:
> 
> Sent to CCL by: "Christina  MSC" [christinamsc[]gmail.com]
>      I am dealing with the metal complexes having seven
> coordination. In this complexes the seventh coordination will be the
> solvent. I would like to know how to calculate the role of this solvent
> coordinated in this complexes. I will also know how to calculate the
> solvation energy of this complexes. I would be happy if anyone explains
> briefly. Thanks in advance.

Christina,

1) Sorry for not giving you better advise, but your description
   of the problem you want to explore gives not enough information
   to decide what you really want.

2) Rather than trying to guess, might you give some geometrical details
   of your problem? A metal ion in the center? What kind of solvent? What
   do you mean by the seventh coordination layer? What are the previous
   six layers?

3) With a real knowledge of your system I am sure many experts will
   be able to advise. I will try.

Best regards,
            Dr. Víctor Luaña
--
     .  .    "The hardest part in solving a problem is recognizing
    / `' \   its existence. Learning the causes CAN be the road to
   /(o)(o)\  the solution."
  /`. \/ .'\          -- ¿?
 /   '`'`   \ "Lo mediocre es peor que lo bueno, pero también es peor
 |  \'`'`/  | que lo malo, porque la mediocridad no es un grado, es una
 |  |'`'`|  | actitud"
  \/`'`'`'\/          -- Jorge Wasenberg, 2015
===(((==)))==================================+=========================
!            Dr.Víctor Luaña                 ! Mediocre is worse than
! Departamento de Química Física y Analítica ! good, but it is also
! Universidad de Oviedo, 33006-Oviedo, Spain ! worse than bad, because
! e-mail:   victor++fluor.quimica.uniovi.es   ! mediocrity is not a grade,
! phone: +34-985-103491  fax: +34-985-103125 ! it is an attitude
+--------------------------------------------+
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