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From:  "Dr. Daniel Glossman-Mitnik" <daniel.glossman.-at-.cimav.edu.
Date:  Thu, 22 May 2003 19:39:54 -0500
Subject:  condensed Fukui functions

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Dear netters:

Is there any way (exact or an approximation) to estimate
molecular condensed Fukui functions, without resorting to
the calculation of the atomic charges of the anion and cation ?
That is, something based only on the neutral molecule ?

Thanks in advance

                                   Dr. Daniel Glossman-Mitnik

**********************************************************************
Dr. Daniel Glossman-Mitnik
Centro de Investigaci=F3n en Materiales Avanzados (CIMAV)
LAQUICOM - Laboratorio de Qu=EDmica Computacional
Miguel de Cervantes 120 - Comp. Ind. Chihuahua
Chihuahua, Chih. 31109 - MEXICO
Tel.: (52) 614 4391151
FAX: (52) 614 4391112
E-mail: daniel.glossman.-at-.cimav.edu.mx
            glossman.-at-.hotmail.com
            dglossman.-at-.yahoo.com
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Dear netters:
 
Is there any way (exact or an = approximation) to=20 estimate
molecular condensed Fukui functions, without resorting to
the calculation of the atomic = charges of the=20 anion and cation ?
That is, something based only on the = neutral=20 molecule ?
 
Thanks in advance
 
          &nbs= p;            = ;           =20 Dr. Daniel Glossman-Mitnik
 
****************************************************************= ******
Dr.=20 Daniel Glossman-Mitnik
Centro de Investigaci=F3n en Materiales = Avanzados=20 (CIMAV)
LAQUICOM - Laboratorio de Qu=EDmica Computacional
Miguel = de=20 Cervantes 120 - Comp. Ind. Chihuahua
Chihuahua, Chih. 31109 - = MEXICO
Tel.:=20 (52) 614 4391151
FAX: (52) 614 4391112
E-mail: daniel.glossman.-at-.cimav.edu.mx=
           = ;=20 glossman.-at-.hotmail.com
 &n= bsp;         =20 dglossman.-at-.yahoo.com
**********= ************************************************************
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