Difference between revisions of "ReaxFF force field"

From SklogWiki
Jump to: navigation, search
m
(No difference)

Revision as of 14:01, 5 March 2010

Simeq0.png This article is a 'stub' page, it has no, or next to no, content. It is here at the moment to help form part of the structure of SklogWiki. If you add sufficient material to this article then please remove the {{Stub-general}} template from this page.

The ReaxFF force-field was developed by the Prof. William A. Goddard, III group: Materials and Process Simulation Center located at the California Institute of Technology.

References

  1. Adri C. T. van Duin, Siddharth Dasgupta, Francois Lorant, and William A. Goddard, III "ReaxFF: A Reactive Force Field for Hydrocarbons", The Journal of Physical Chemistry A (Molecules) 105 pp. 9396 - 9409 (2001)