[DFTB-Plus-User] help

Soujanya Y. yarasi at iict.res.in
Tue Sep 24 13:58:27 CEST 2013


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Hi


To anchor a dye molecule which has Gallium to TiO2 cluster, I am in need for Ga-Ti, Ga-
O, Ga-H, Ga-N, Ga-F, Ga-Ga, Ga-C parameters for my calculation. 


sincerely

Dr. Soujanya Yarasi
Scientist, CMM
IICT, Hyderabad
India

On Fri, 16 Aug 2013 14:45:04 +0200 (CEST), www-data wrote
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> This message has been scanned by the InterScan for CSC SSM at IICT and found 
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> Dear User,
> 
>   Thank you very much for your interest in the DFTB method and in the
> parametrisations for that method. An account on http://www.dftb.org had
> been created for you. Your user name is:
> 
>     soujanya.yarasi
> 
>   For security reasons, your password will arrive in a separate email
> in a few minutes.
> 
>   Best regards,
> 
>     Balint Aradi
> 
> -- 
> Dr. Balint Aradi
> Bremen Center for Computational Materials Science, University of Bremen
> TAB A/3.10, Am Fallturm 1, 28359 Bremen, Germany, Tel.: +49 421 2187421
> http://www.bccms.uni-bremen.de/en/employees/b_aradi/


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Indian Institute of Chemical Technology [IICT]
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