ReactMD uses molecular dynamics to simulate the chemical reactions:A +BC ==> AB + C A +B ==>AB and AB ==>A + B
Available Help Files
Author
The Program was written by Professor Richard I Masel of the Chemical Engineering Department and The School of Chemical Sciences at the University of Illinois Urbana Champaign.
There is additional information on the ReactMD website
Click here for updates to the documentation
For further information about applications of this program please look in
Chapter 9 of R. I. Masel, Principles of Adsorption and Reaction on Solid Surfaces, Wiley 1996 or
Chapter 8 of R. I. Masel, Kinetics and Catalysis, Wiley 2000