[DFTB-Plus-User] About dispersion

北川 裕也 kitagawa at quanta.synchem.kyoto-u.ac.jp
Sat Dec 13 15:41:12 CET 2008

 Dear DFTB+ users,
 I am calculating a system of photosynthesis reaction center.
 This system contain chlorophyls, pheophytins and proteins consisted of C, N, O, H, S and Mg.

 So I want to calculate the system considred dispersion.

 Could anyone know values of Polarisability, Radius, Charge for dispersion about the system?

 If anyone has informatioon about this, please let me know.
 Best regards,
 Yuya Kitagawa
 Yuya Kitagawa
 Department of Synthetic Chemistry and Biological chemistry,
 Graduate School of Engineering, Kyoto University
 Kyoto-Daigaku-Katsura, Nishikyo-ku, Kyoto 615-8510
 e-mail: kitagawa at quanta.synchem.kyoto-u.ac.jp <http://www.dftb-plus.info/mailman/listinfo/dftb-plus-user>

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