VMD-L Mailing List

From: lothar esser (lesser_at_helix.nih.gov)
Date: Fri Aug 27 2004 - 08:21:41 CDT

> Hi,
>
> I am not sure if this is the right place to post this question, but may
> I know if anyone knows where can I find the XYZ coordinates of
> Fullerenes such as C70, C80, C140, etc? Is there somewhere I can find a
> database for different Fullerenes?
>
>
> Best regards,
> CH WONG
>

Have you tried :

http://www.ccdc.cam.ac.uk/

In their current data base there are more than 650 fullerene
3D-structures. ( 77 C70, ~12 C80, 0 C140 ...)

It is however not free but your university should be able to purchase it.

Lothar