Difference between revisions of "ReaxFF force field"

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{{Stub-general}}
 
{{Stub-general}}
 
The '''ReaxFF''' force-field was developed by the [http://www.wag.caltech.edu/home/wag/index.html Prof. William A. Goddard, III] group: [http://www.wag.caltech.edu/ Materials and Process Simulation Center] located at the California Institute of Technology.
 
The '''ReaxFF''' force-field was developed by the [http://www.wag.caltech.edu/home/wag/index.html Prof. William A. Goddard, III] group: [http://www.wag.caltech.edu/ Materials and Process Simulation Center] located at the California Institute of Technology.
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==Functional form==
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==Parameters==
 
==References==
 
==References==
 
#[http://dx.doi.org/10.1021/jp004368u 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)]
 
#[http://dx.doi.org/10.1021/jp004368u 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)]
 
[[category: force fields]]
 
[[category: force fields]]

Latest revision as of 15:02, 5 March 2010

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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.

Functional form[edit]

Parameters[edit]

References[edit]

  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)