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Potential of mean force calculations using ab initio tight-binding molecular dynamics: Application to N–NO2 bond dissociation in DMNA and HMX

Author:

Hong Wang,Jessica Stalnaker,Hilaire Chevreau,James P. Lewis

Publication:

Chemical Physics Letters

Publisher:

Elsevier

Date:

20 May 2008

Published by Elsevier B.V.

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