Please select radical and monomer from pull down menu, then push Calc. button. You will get Activation energy(dE) and frequency factor (A).


If you are lucky enough your browser support old JAVA and proper setting of JAVA option, you will see the window like below.

If you can not see this window, please check browser's JAVA option or try other browser. Eventhough you fail. Give up this old IAVA verson. (This Applet is still running with Mac with FireFox browser. 2011.11.15)

Now, these monomers are listed in this program.

With this program, I need to input Radical's SOMO, HOMO, Monomer's HOMO, LUMO and charge of head and tail carbon atom that are calculated with MOPAC PM3. With these information, the Neural Network answer B3LYP6-31G** level of calculation. So it is very easy to add new monomer and radical to this program.

Please refer to this article for more detail.