Properties Estimation: heat of Formation: Pirika method, Estimation of Heat of Formation, Gibbs Energy, Entropy of Formation by JAVA applet
Pirika method : base on Neural Network machine learning.
Please draw molecule at cyan panel. Please refer to how to use animation1, animation2.
Change atom type or delete atom, mouse down and up at the same atom. You will see the several buttons and select one. Web version can not calculate Halogen and Aromatics.
Cis-, Trans- compounds return average
of both.
You need not add Hydrogen.
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) In that case, please try HTML5 version.
For this heat of formation prediction, I compiled MOPAC PM3 calculation results and make this scheme.
This Heat of formation means "How molecule is stable".
And I made Flash Point prediction scheme with this result. Please refer to this article.
