CCL: Force field of Si
- From: Carlos Javier Nuñez Aguero
<carlosjn(0)ce.fis.unam.mx>
- Subject: CCL: Force field of Si
- Date: Wed, 06 Sep 2006 13:22:07 -0500
Sent to CCL by: =?ISO-8859-1?Q?Carlos_Javier_Nu=F1ez_Aguero?=
[carlosjn^_^ce.fis.unam.mx]
Hi,
Thammarat Aree thammarat.aree,gmail.com wrote:
Could you please suggest where to look for force fields of Si. I would like to
use Lennard-Jones 12-6 parameters of Si-C, Si-H, Si-O, Si-N for docking. Thanks.
maybe you can find this set of parameters in papers from
Dr. Stephen H.
Garofalini. See for example:
o Litton & Garofalini, 2001. Modeling of hydrophobic wafer bonding
by
molecular dynamics
simulations. Journal of Applied Physics 89 (11): 6013-6023
o Webb & Garofalini, 1998. Relaxation of silica glass surfaces
before
and after stress modification
in a wet and dry atmosphere: molecular dynamics simulations. Journal of
Non-Crystalline Solids
226: 47-57
and others.
Hasta la proxima vez,
Carlos N.
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