Years ago, I wrote a very rudimentary tutorial on Mathematica to get undergrad chemistry students started on it. http://www.cem.msu.edu/~cem883/mathematica-ins

Years ago, I wrote a very rudimentary tutorial on Mathematica to get undergrad chemistry students started on it. http://www.cem.msu.edu/~cem883/mathematica-instr.html http://www.cem.msu.edu/~cem883/mathematica-instr.html The good thing is that mathics make very nice plots (at least for simple functions I tested). The bad news is that it stumbled on a simple NIntegrate.(*) It certainly has potential though... [ Edit: Hmm looks like Integrate[] does what NIntegrate in my example was supposed to do. I take the "bad news" back.]