Dear Ruth,
Please contact Professor Aradi:
Dr. Balint Aradi
aradi.uni-bremen.de
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/cms/people/b_aradi/
Greeting,
Hector.
> Dear Gustavo,
>
> Thank you anyway for the helpful insight on this subject!
> Sincere regards,
>
> Ruth
>
>
>> On 16 Nov 2016, at 13:26, Gustavo Seabra <gustavo.seabra.gmail.com>
>> wrote:
>>
>> Hi Ruth,
>>
>>
>>> Em 15 de nov de 2016, à(s) 06:47, Ruth Helena Tichauer
>>> <rhtichau.laas.fr> escreveu:
>>>
>>> As I have no experience in generating parameters, would you please
>>> point out to me a way/tutorial that I could follow to generate such
>>> dispersion parameters for Mg2+ ion? I wonder if such a thing could be
>>> achieved with antechamber..
>>
>> Unfortunately, I am not aware of any such tutorial. All I can suggest is
>> to take a look into the original articles and see how they did it, and
>> maybe contact the original authors.
>>
>> As Dave suggested, Mg being such a well studied ion, you may also be
>> able to find the parameters already in the literature.
>>
>> All the best,
>> Gustavo.
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>
>
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--------------------------------------
Dr. Hector A. Baldoni
Profesor Adjunto (FQByF-UNSL)
Investigador Adjunto (IMASL-CONICET)
Area de Quimica General e Inorganica
Universidad Nacional de San Luis
Chacabuco 917 (D5700BWS)
San Luis - Argentina
hbaldoni at unsl dot edu dot ar
Tel.:+54-(0)266-4520300 ext. 6157
--------------------------------------
-.The theoretical approach these days can predict/show almost anything,
but the ultimate truth lies in the experiment.-
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Received on Wed Nov 16 2016 - 05:30:02 PST
