Title of article :
A fully polarizable and dissociable potential for water
Author/Authors :
Lussetti، نويسنده , , E. and Pastore، نويسنده , , G. and Smargiassi، نويسنده , , E.، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2003
Pages :
5
From page :
287
To page :
291
Abstract :
A new classical interaction potential for water simulations is presented. Water is modeled as a fully dissociable set of atoms with a point dipole, determined self-consistently, on every oxygen atom. The oxygen polarizability is not fixed but depends on the geometry of the system. We show that, in spite of the limited number of free parameters, the model reproduces the geometrical and vibrational properties of microclusters in a satisfactory way.
Journal title :
Chemical Physics Letters
Serial Year :
2003
Journal title :
Chemical Physics Letters
Record number :
1784163
Link To Document :
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