ReaxFF force field: Difference between revisions
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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. | ||
==Functional form== | |||
==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 14:02, 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.