Parameters In React_MD

The program sets a variety of parameters automatically. The parameters include:

In the program, the potential, V, is assumed to follow:

where:




A brief explaination of how these terms arise is given in potentia.htm


Click here for instructions about how to use ReactMD


There is more information on the ReactMD website.
Click here to visit 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