CCL: Force field of Si



 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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