From owner-chemistry: at :ccl.net Sat Sep  2 02:51:00 2006
From: "Joaquin Barroso Flores joaco_barroso*o*yahoo.com" <owner-chemistry|,|server.ccl.net>
To: CCL
Subject: CCL: DPD solubility parameters
Message-Id: <-32466-060902024009-24290-AXyajigzB5AlKtdlLxt8ig|,|server.ccl.net>
X-Original-From: Joaquin Barroso Flores <joaco_barroso++yahoo.com>
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Date: Sat, 2 Sep 2006 01:40:02 -0500 (CDT)
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Sent to CCL by: Joaquin Barroso Flores [joaco_barroso^_^yahoo.com]
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Hello,
   
  Does anybody know if there is a way to calculate DPD solubility parameters for molecular fragments using quantum mechanical methods? I need to define some fragments and their relative interactions for the later implementation of a DPD code. By the way, and while im at it, is it correct to call DPD a molecular dynamics method? I've got a bit of a controversy on that one.
   
  Thanks to all in advanced!
   
  Cheers


**********************************************************
                 Q. Joaquin Barroso-Flores

              Departamento de Quimica Teorica
                 Instituto de Quimica UNAM 

Correo Alterno: joaquin_barroso===correo.unam.mx
                joaquin.barroso===gmail.com

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<div>Hello,</div>  <div>&nbsp;</div>  <div>Does anybody know if there is a way to calculate DPD solubility parameters for molecular fragments using quantum mechanical methods? I need to define some fragments and their relative interactions for the later implementation of a DPD code. By the way, and while im at it, is it correct to call DPD a molecular dynamics method? I've got a bit of a controversy on that one.</div>  <div>&nbsp;</div>  <div>Thanks to all in advanced!</div>  <div>&nbsp;</div>  <div>Cheers</div><BR><BR>**********************************************************<br>                 Q. Joaquin Barroso-Flores<br><br>              Departamento de Quimica Teorica<br>                 Instituto de Quimica UNAM <br><br>Correo Alterno: joaquin_barroso===correo.unam.mx<br>                joaquin.barroso===gmail.com<br><br>**********************************************************<p>&#32;
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