From owner-chemistry@ccl.net Wed Nov 7 07:10:00 2012 From: "Savita Pundlik savita.pundlik]|[tcs.com" To: CCL Subject: CCL: Absorption spectrum of ZnO nanoparticles Message-Id: <-47858-121107070216-22083-kj4ukyes7vJPH4kXa4d9LQ[]server.ccl.net> X-Original-From: Savita Pundlik Content-Transfer-Encoding: quoted-printable Content-Type: text/html; charset="iso-8859-1" Date: Wed, 7 Nov 2012 17:32:04 +0530 MIME-Version: 1.0 Sent to CCL by: Savita Pundlik [savita.pundlik*|*tcs.com]
Hello,
 
A 5nm ZnO particle may be too big for first-principles simulations.
It is possible to use classical electromagnetic simulations using
programs DDSCAT (open source) or FDTD from Lumerical (licensed).
You may go to the repsective sites to find more.
 
Good luck and Regards,
 
Savita Pundlik=
Tata Consultancy Services
Mailto: savita.pundlik~~tcs.com

Website: http://www.tcs.com


-----owner-chemistry+savita.pundlik=3D=3Dtcs.com~~ccl.net wrote: = ----- =
To: "Pundlik, Savita Su= nil " <savita.pundlik~~tcs.com>
From: "Daniel Glossman-Mitn= ik dglossman#,#gmail.com"
Sent by: owner-chemi= stry+savita.pundlik=3D=3Dtcs.com~~ccl.net
Date: 11/07/2012 12:30AM
Sub= ject: CCL: Absorption spectrum of ZnO nanoparticles

Dear netters:
Is there any way to calculate (or simulate) the absorption spectrum of= a spherical 5 nm ZnO nanoparticle?

Thanks in advance. Best regards,=

Daniel

*****************************************= **********************************************************************
D= r. Daniel Glossman-Mitnik =
Laboratorio Virtual NANOCOSMOS
Centro de Investigaci=F3n en Materia= les Avanzados, SC
Departamento de Simulaci=F3n Computacional y Modelado = Molecular
Miguel de Cervantes 120 - Comp. Ind. Chihuahua - Chihuahua, Ch= ih 31109, Mexico
Phone: +52 614 4391151   Secretary/FAX: +52 6= 14 4391130    Lab: +52 614 4394805
E-mail:  daniel.glossman[a]cima= v.edu.mx          dglossman[a]gmail.com
WWW:  http://www= .cimav.edu.mx/cv/daniel.glossman
          =     http://blogs.cimav.edu.mx/daniel.glossman
****************= ***************************************************************************= ********************

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From owner-chemistry@ccl.net Wed Nov 7 07:45:00 2012 From: "Suresh Kumar Venkata Neelamraju nvskumar123]_[gmail.com" To: CCL Subject: CCL:G: second order correlation enery of MP2 calculations Message-Id: <-47859-121107070914-22511-MWfu0SANRRu009ZqAPICwQ!=!server.ccl.net> X-Original-From: "Suresh Kumar Venkata Neelamraju" Date: Wed, 7 Nov 2012 07:09:13 -0500 Sent to CCL by: "Suresh Kumar Venkata Neelamraju" [nvskumar123*gmail.com] Dear Sir, I want to estimate dispersion energy contribution to total electronic energy of a conformation. I did single point energy calculations at MP2/6-31G(d,P) level of theory using Gaussian09. The E2 value given in the out put file is the second order correlation energy. Cybulski et. al.(JCP, 1990, 92, 4357) decomposed the E2 of intermolecular interaction energy, as the sum of intermolecular dispersion energy, intramolecular electron correlation of the electrostatic energy, exchange correlation energy and deformation energy. Now my question is can we use this decomposition as an approximation to E2 of total electronic energy of a molecule, considering intramolecular dispersion instead of intermolecular term and keeping the other terms as they are. With thanks and regards, Suresh Kumar From owner-chemistry@ccl.net Wed Nov 7 10:23:00 2012 From: "Pierre Archirel pierre.archirel{=}u-psud.fr" To: CCL Subject: CCL:G: gaussian09 and geomview Message-Id: <-47860-121107101921-2112-APXAUPT2ISiNCRvfz8GO2A-,-server.ccl.net> X-Original-From: Pierre Archirel Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset=ISO-8859-1; format=flowed Date: Wed, 07 Nov 2012 16:19:14 +0100 MIME-Version: 1.0 Sent to CCL by: Pierre Archirel [pierre.archirel-x-u-psud.fr] Dear colleagues, I have been puzzled with the geomview keyword of gaussian, which enables (according to the gaussian user's manual) the visualization of PCM cavities. I guess, many PCM users have also tried this keyword... Using the simple data: # ... scrf=(... read) ... pcmdoc geomview I obtained a points.off file, showing only points in the space, of little interest, and not the tesselized cavity surface. By chance I added a tsare keyword: # ... scrf=(... read) ... pcmdoc tsare=0.2 geomview and got two files: tesserae.off, showing the tesselized cavity surface and charge.off, showing the same tesselized surface with different colors according to the polarisation charge of each tessera. I have been much pleased with this last result, but I got it by chance... Did you know this trick? Is there a bug in gaussian 09? did I miss something? (Note that the tsare keyword is a gaussian 03 keyword, absent from the gaussian 09 manual) Best wishes, Pierre Archirel LCP, Universite Paris-Sud France pierre.archirel##u-psud.fr ______________________________________________________________ Pierre Archirel Groupe Théosim: Théorie et Simulation Laboratoire de Chimie Physique Tel: 01 69 15 63 86 Bât 349 Fax: 01 69 15 61 88 91405 Orsay Cédex France pierre.archirel##u-psud.fr ______________________________________________________________ From owner-chemistry@ccl.net Wed Nov 7 10:58:01 2012 From: "Pierre Archirel pierre.archirel .. u-psud.fr" To: CCL Subject: CCL: association free energies Message-Id: <-47861-121107103147-5634-xS4O7mpTks+17w57CgAFfg:-:server.ccl.net> X-Original-From: Pierre Archirel Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset=ISO-8859-1; format=flowed Date: Wed, 07 Nov 2012 16:31:41 +0100 MIME-Version: 1.0 Sent to CCL by: Pierre Archirel [pierre.archirel__u-psud.fr] Dear colleagues, I would like to have accurate values of association free energies in solution, namely of reactions of the type: A+B -> C including the simple dimerization: A + B -> AB where A and B are different from H or H+. Could you give me such values, or still better a review of them? Thanks in advance, Pierre Archirel LCP, Universite Paris-Sud France pierre.archirel&u-psud.fr ______________________________________________________________ Pierre Archirel Groupe Théosim: Théorie et Simulation Laboratoire de Chimie Physique Tel: 01 69 15 63 86 Bât 349 Fax: 01 69 15 61 88 91405 Orsay Cédex France pierre.archirel===u-psud.fr ______________________________________________________________ From owner-chemistry@ccl.net Wed Nov 7 11:33:01 2012 From: "Jim Kress ccl_nospam(~)kressworks.com" To: CCL Subject: CCL: Absorption spectrum of ZnO nanoparticles Message-Id: <-47862-121107094556-32395-J0/rbYGr2Yc1fwayZv0QhA()server.ccl.net> X-Original-From: "Jim Kress" Content-Language: en-us Content-Type: multipart/alternative; boundary="----=_NextPart_000_00A8_01CDBCCC.AAEB25A0" Date: Wed, 7 Nov 2012 09:45:48 -0500 MIME-Version: 1.0 Sent to CCL by: "Jim Kress" [ccl_nospam^kressworks.com] This is a multipart message in MIME format. ------=_NextPart_000_00A8_01CDBCCC.AAEB25A0 Content-Type: text/plain; charset="utf-8" Content-Transfer-Encoding: quoted-printable How many atoms? What kind of spectra? =20 Jim =20 > From: owner-chemistry+ccl_nospam=3D=3Dkressworks.com(-)ccl.net = [mailto:owner-chemistry+ccl_nospam=3D=3Dkressworks.com(-)ccl.net] On = Behalf Of Daniel Glossman-Mitnik dglossman#,#gmail.com Sent: Tuesday, November 06, 2012 1:04 PM To: Kress, Jim Subject: CCL: Absorption spectrum of ZnO nanoparticles =20 Dear netters: Is there any way to calculate (or simulate) the absorption spectrum of a = spherical 5 nm ZnO nanoparticle? Thanks in advance. Best regards, Daniel *************************************************************************= ************************************** Dr. Daniel Glossman-Mitnik Laboratorio Virtual NANOCOSMOS Centro de Investigaci=C3=B3n en Materiales Avanzados, SC Departamento de Simulaci=C3=B3n Computacional y Modelado Molecular Miguel de Cervantes 120 - Comp. Ind. Chihuahua - Chihuahua, Chih 31109, = Mexico Phone: +52 614 4391151 Secretary/FAX: +52 614 4391130 Lab: +52 614 = 4394805 E-mail: daniel.glossman[a]cimav.edu.mx dglossman[a]gmail.com WWW: http://www.cimav.edu.mx/cv/daniel.glossman http://blogs.cimav.edu.mx/daniel.glossman *************************************************************************= ************************************** =20 ------=_NextPart_000_00A8_01CDBCCC.AAEB25A0 Content-Type: text/html; charset="utf-8" Content-Transfer-Encoding: quoted-printable

How many atoms?=C2=A0 What kind of spectra?

 

Jim

 

From:= = owner-chemistry+ccl_nospam=3D=3Dkressworks.com(-)ccl.net = [mailto:owner-chemistry+ccl_nospam=3D=3Dkressworks.com(-)ccl.net] On = Behalf Of Daniel Glossman-Mitnik = dglossman#,#gmail.com
Sent: Tuesday, November 06, 2012 1:04 = PM
To: Kress, Jim
Subject: CCL: Absorption = spectrum of ZnO nanoparticles

 

Dear = netters:

Is there any way to calculate (or simulate) the = absorption spectrum of a spherical 5 nm ZnO nanoparticle?

Thanks = in advance. Best regards,

Daniel

*************************************************************= **************************************************
Dr. Daniel = Glossman-Mitnik

Laboratorio = Virtual NANOCOSMOS
Centro de Investigaci=C3=B3n en Materiales = Avanzados, SC
Departamento de Simulaci=C3=B3n Computacional y = Modelado Molecular
Miguel de Cervantes 120 - Comp. Ind. Chihuahua - = Chihuahua, Chih 31109, Mexico
Phone: +52 614 4391151   = Secretary/FAX: +52 614 4391130    Lab: +52 614 = 4394805
E-mail:  daniel.glossman[a]cimav.edu.mx      =     dglossman[a]gmail.com
WWW:  http://www.cimav.edu.mx/cv/daniel.glossman
 = ;             http://blogs.cimav.edu.mx/daniel.glossman
******= *************************************************************************= ********************************

 

------=_NextPart_000_00A8_01CDBCCC.AAEB25A0-- From owner-chemistry@ccl.net Wed Nov 7 14:05:01 2012 From: "Rupashree Ray shyama.tum(a)gmail.com" To: CCL Subject: CCL:G: Counterpoise and SCRF together in Gaussian09 Message-Id: <-47863-121106192033-29728-AxwW0lPcefvwQOuucvsVgg#%#server.ccl.net> X-Original-From: "Rupashree Ray" Date: Tue, 6 Nov 2012 19:20:31 -0500 Sent to CCL by: "Rupashree Ray" [shyama.tum*gmail.com] Hi, Can one do counterpoise correction along with SCRF(PCM) in Gaussian09? I searched the web, the latest from 2011 discussion in ccl says it is not possible. Just wondering if the issue has been resolved by now? Anyone has idea on this, please suggest. Thanks Rupashree From owner-chemistry@ccl.net Wed Nov 7 14:48:00 2012 From: "Daniel Glossman-Mitnik dglossman]![gmail.com" To: CCL Subject: CCL: Absorption spectrum of ZnO nanoparticles Message-Id: <-47864-121107144701-19099-7ldbAYvcmsK+aRKauHrZAA~~server.ccl.net> X-Original-From: Daniel Glossman-Mitnik Content-Type: multipart/alternative; boundary=f46d043c7ea808f07604cdecfbb2 Date: Wed, 7 Nov 2012 12:46:54 -0700 MIME-Version: 1.0 Sent to CCL by: Daniel Glossman-Mitnik [dglossman%a%gmail.com] --f46d043c7ea808f07604cdecfbb2 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: quoted-printable Hello Jim, A 5 nm ZnO spherical nanoparticle implies about 5500 atoms and I want to simulate the UV-Vis absorption spectrum (it should absorb aoround 388 nm). Best regards, Daniel ***************************************************************************= ************************************ Dr. Daniel Glossman-Mitnik Laboratorio Virtual NANOCOSMOS Centro de Investigaci=C3=B3n en Materiales Avanzados, SC Departamento de Simulaci=C3=B3n Computacional y Modelado Molecular Miguel de Cervantes 120 - Comp. Ind. Chihuahua - Chihuahua, Chih 31109, Mexico Phone: +52 614 4391151 Secretary/FAX: +52 614 4391130 Lab: +52 614 4394805 E-mail: daniel.glossman!^!cimav.edu.mx dglossman!^!gmail.com WWW: http://www.cimav.edu.mx/cv/daniel.glossman http://blogs.cimav.edu.mx/daniel.glossman ***************************************************************************= ************************************ 2012/11/7 Jim Kress ccl_nospam(~)kressworks.com > How many atoms? What kind of spectra?**** > > ** ** > > Jim**** > > ** ** > > *From:* owner-chemistry+ccl_nospam=3D=3Dkressworks.com%%ccl.net [mailto: > owner-chemistry+ccl_nospam=3D=3Dkressworks.com%%ccl.net] *On Behalf Of *D= aniel > Glossman-Mitnik dglossman#,#gmail.com > *Sent:* Tuesday, November 06, 2012 1:04 PM > *To:* Kress, Jim > *Subject:* CCL: Absorption spectrum of ZnO nanoparticles**** > > ** ** > > Dear netters: > > Is there any way to calculate (or simulate) the absorption spectrum of a > spherical 5 nm ZnO nanoparticle? > > Thanks in advance. Best regards, > > Daniel > > > *************************************************************************= ************************************** > Dr. Daniel Glossman-Mitnik**** > > Laboratorio Virtual NANOCOSMOS > Centro de Investigaci=C3=B3n en Materiales Avanzados, SC > Departamento de Simulaci=C3=B3n Computacional y Modelado Molecular > Miguel de Cervantes 120 - Comp. Ind. Chihuahua - Chihuahua, Chih 31109, > Mexico > Phone: +52 614 4391151 Secretary/FAX: +52 614 4391130 Lab: +52 614 > 4394805 > E-mail: daniel.glossman[a]cimav.edu.mx dglossman[a]gmail.com > WWW: http://www.cimav.edu.mx/cv/daniel.glossman > http://blogs.cimav.edu.mx/daniel.glossman > > *************************************************************************= ************************************** > **** > > ** ** > --f46d043c7ea808f07604cdecfbb2 Content-Type: text/html; charset=UTF-8 Content-Transfer-Encoding: quoted-printable Hello Jim,

A 5 nm ZnO spherical nanoparticle implies about 5500 atom= s and I want to simulate the UV-Vis absorption spectrum (it should absorb a= oround 388 nm).

Best regards,

Daniel


*********************************************************= ******************************************************
Dr. Daniel Glossm= an-Mitnik
Laboratorio Virtual NANOCOSMOS
Centro de Investigaci=C3=B3= n en Materiales Avanzados, SC
Departamento de Simulaci=C3=B3n Computacional y Modelado Molecular
Migue= l de Cervantes 120 - Comp. Ind. Chihuahua - Chihuahua, Chih 31109, MexicoPhone: +52 614 4391151=C2=A0=C2=A0 Secretary/FAX: +52 614 4391130=C2=A0 = =C2=A0 Lab: +52 614 4394805
E-mail:=C2=A0 daniel.glossman!^!cimav.edu.mx=C2=A0 =C2=A0 =C2=A0 =C2=A0 =C2=A0 dglossman!^!gmail.com
WWW:=C2=A0
http://www.cimav.edu.mx/cv/daniel.glossman
=C2=A0 =C2=A0 =C2=A0 =C2=A0 =C2=A0 =C2=A0 =C2=A0 http://blogs.cimav.edu.mx/dan= iel.glossman
*******************************************************= ********************************************************



2012/11/7 Jim Kress ccl_nospam(~)kressworks.com <owner-chemistry!^!ccl.n= et>

How many atom= s?=C2=A0 What kind of spectra?

=C2=A0

Jim

=C2=A0

From: owner-chemistry+ccl_nospam=3D=3Dkressworks.com%%ccl.net [mailto:owner-chemistry+ccl_nospam=3D=3Dkressworks.com%%ccl.net] On Behalf Of Daniel Glossman-Mitnik = dglossman#,#gmail.com Sent: Tuesday, November 06, 2012 1:04 PM
To: Kress, Jim

Subject: CCL: Absorption spectrum of = ZnO nanoparticles

<= p class=3D"MsoNormal"> =C2=A0

Dear netters:

Is ther= e any way to calculate (or simulate) the absorption spectrum of a spherical= 5 nm ZnO nanoparticle?

Thanks in advance. Best regards,

Dani= el

*********************************************************= ******************************************************
Dr. Daniel Glossm= an-Mitnik

Laboratorio Virtual = NANOCOSMOS
Centro de Investigaci=C3=B3n en Materiales Avanzados, SC
Departamento de= Simulaci=C3=B3n Computacional y Modelado Molecular
Miguel de Cervantes = 120 - Comp. Ind. Chihuahua - Chihuahua, Chih 31109, Mexico
Phone: +52 61= 4 4391151=C2=A0=C2=A0 Secretary/FAX: +52 614 4391130=C2=A0 =C2=A0 Lab: +52 = 614 4394805
E-mail:=C2=A0 daniel.glossman[a]cimav.edu.mx=C2=A0 =C2=A0 =C2=A0 =C2=A0 =C2=A0= dglossman[a]gma= il.com
WWW:=C2=A0 http://www.cimav.edu.mx/cv/daniel.glossman
=C2=A0 =C2=A0 =C2=A0 =C2=A0 =C2=A0 =C2=A0 =C2=A0 http://blogs.cimav.edu.mx/dan= iel.glossman
*******************************************************= ********************************************************

=C2=A0


--f46d043c7ea808f07604cdecfbb2-- From owner-chemistry@ccl.net Wed Nov 7 21:32:01 2012 From: "Bradley Welch bwelch5 .. slu.edu" To: CCL Subject: CCL: Absorption spectrum of ZnO nanoparticles Message-Id: <-47865-121107213115-30203-r/QrF3YEqxwUle6vJ3GFsg(~)server.ccl.net> X-Original-From: Bradley Welch Content-Type: multipart/alternative; boundary=f46d0438ed0377c08004cdf2a035 Date: Wed, 7 Nov 2012 20:31:04 -0600 MIME-Version: 1.0 Sent to CCL by: Bradley Welch [bwelch5\a/slu.edu] --f46d0438ed0377c08004cdf2a035 Content-Type: text/plain; charset=ISO-8859-1 Content-Transfer-Encoding: quoted-printable I'm going to emphasize the word "might" here, but it might be doable to get the spectra via the semi-empirical ZINDO/S method assuming whatever code you have scales well. On Wednesday, November 7, 2012, Daniel Glossman-Mitnik dglossman]![gmail.co= m< owner-chemistry+/-ccl.net> wrote: > Hello Jim, > > A 5 nm ZnO spherical nanoparticle implies about 5500 atoms and I want to simulate the UV-Vis absorption spectrum (it should absorb aoround 388 nm). > > Best regards, > > Daniel > > > ***************************************************************************= ************************************ > Dr. Daniel Glossman-Mitnik > Laboratorio Virtual NANOCOSMOS > Centro de Investigaci=F3n en Materiales Avanzados, SC > Departamento de Simulaci=F3n Computacional y Modelado Molecular > Miguel de Cervantes 120 - Comp. Ind. Chihuahua - Chihuahua, Chih 31109, Mexico > Phone: +52 614 4391151 Secretary/FAX: +52 614 4391130 Lab: +52 614 4394805 > E-mail: daniel.glossman-.-cimav.edu.mx dglossman-.-gmail.com > WWW: http://www.cimav.edu.mx/cv/daniel.glossman > http://blogs.cimav.edu.mx/daniel.glossman > ***************************************************************************= ************************************ > > > 2012/11/7 Jim Kress ccl_nospam(~)kressworks.com >> >> How many atoms? What kind of spectra? >> >> >> >> Jim >> >> >> >> From: owner-chemistry+ccl_nospam=3D=3Dkressworks.com%%ccl.net [mailto: owner-chemistry+ccl_nospam=3D=3Dkressworks.com%%ccl.net] On Behalf Of Danie= l Glossman-Mitnik dglossman#,#gmail.com >> Sent: Tuesday, November 06, 2012 1:04 PM >> To: Kress, Jim >> >> Subject: CCL: Absorption spectrum of ZnO nanoparticles >> >> >> >> Dear netters: >> >> Is there any way to calculate (or simulate) the absorption spectrum of a spherical 5 nm ZnO nanoparticle? >> >> Thanks in advance. Best regards, >> >> Daniel >> >> ***************************************************************************= ************************************ >> Dr. Daniel Glossman-Mitnik >> >> Laboratorio Virtual NANOCOSMOS >> Centro de Investigaci=F3n en Materiales Avanzados, SC >> Departamento de Simulaci=F3n Computacional y Modelado Molecular >> Miguel de Cervantes 120 - Comp. Ind. Chihuahua - Chihuahua, Chih 31109, Mexico >> Phone: +52 614 4391151 Secretary/FAX: +52 614 4391130 Lab: +52 614 4394805 >> E-mail: daniel.glossman[a]cimav.edu.mx dglossman[a]gmail.com >> WWW: http://www.cimav.edu.mx/cv/daniel.glossman >> http://blogs.cimav.edu.mx/daniel.glossman >> ***************************************************************************= ************************************ >> >> > --f46d0438ed0377c08004cdf2a035 Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: quoted-printable I'm going to emphasize the word "might" here, but it might be= doable to get the spectra via the semi-empirical ZINDO/S method assuming w= hatever code you have scales well.

On Wednesday, November 7, 2012, D= aniel Glossman-Mitnik dglossman]![gmail.com <owner-chemistry+/-ccl.net> wrote:
> Hello Jim,
>
> A 5 nm ZnO spherical nanoparticle implies a= bout 5500 atoms and I want to simulate the UV-Vis absorption spectrum (it s= hould absorb aoround 388 nm).
>
> Best regards,
>
> Daniel
>
>
> ***************************************= ************************************************************************> Dr. Daniel Glossman-Mitnik
> Laboratorio Virtual NANOCOSMOS
> Centro de Investigaci=F3n en Materiales Avanzados, SC
> Departam= ento de Simulaci=F3n Computacional y Modelado Molecular
> Miguel de C= ervantes 120 - Comp. Ind. Chihuahua - Chihuahua, Chih 31109, Mexico
>= Phone: +52 614 4391151=A0=A0 Secretary/FAX: +52 614 4391130<= /a>=A0 =A0 Lab: +52 614 4394805
> E-mail:=A0 daniel.glossman-.-cimav.edu.mx=A0 =A0 =A0 =A0 =A0 dglossman-.-gmail.com
> WWW:=A0 http://www.cimav.e= du.mx/cv/daniel.glossman
> =A0 =A0 =A0 =A0 =A0 =A0 =A0 http://blogs.cimav.edu.mx/daniel.glossman=
> ******************************************************************= *********************************************
>
>
> 2012/11/7 Jim Kress ccl_nospam(~)kressworks.com <owner-chemistry-.-ccl.net>
>>
&g= t;> How many atoms?=A0 What kind of spectra?
>>
>> =A0
>>
>> Jim
>>
>>= ; =A0
>>
>> From: owner-chemistry+ccl_nospam=3D=3Dkressworks.com%%ccl.net [mailto:owner-chemistry+ccl_nospam=3D=3Dkressworks.com%%ccl.net] On Behalf Of = Daniel Glossman-Mitnik dglossman#,#gmail.com
>> Sent: Tuesday, November 06, 2012 1:04 PM
>> To: Kress, Ji= m
>>
>> Subject: CCL: Absorption spectrum of ZnO nanopart= icles
>>
>> =A0
>>
>> Dear netters:
>>
>> Is there any way to calculate (or simulate) the absorp= tion spectrum of a spherical 5 nm ZnO nanoparticle?
>>
>>= Thanks in advance. Best regards,
>>
>> Daniel
>>= ;
>> ******************************************************************= *********************************************
>> Dr. Daniel Glossm= an-Mitnik
>>
>> Laboratorio Virtual NANOCOSMOS
>>= ; Centro de Investigaci=F3n en Materiales Avanzados, SC
>> Departamento de Simulaci=F3n Computacional y Modelado Molecular>> Miguel de Cervantes 120 - Comp. Ind. Chihuahua - Chihuahua, Chih = 31109, Mexico
>> Phone: +52 614 4391151=A0=A0 Secretary/F= AX: +52 614 4391130=A0 =A0 Lab: +52 614 4394805
>> E-mail:=A0 daniel.glossman[a]cimav.edu.mx=A0 =A0 =A0 =A0 =A0 dglossman[a]gmail.com
>> WWW:=A0 http://ww= w.cimav.edu.mx/cv/daniel.glossman
>> =A0 =A0 =A0 =A0 =A0 =A0 =A0 http://blogs.cimav.edu.mx/daniel.glossman=
>> **********************************************************= *****************************************************
>>
>> =A0
> --f46d0438ed0377c08004cdf2a035--