Molecular Orbital & Properties: Heat of Formation, HOMO, LUMO
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)
2011.6.3 I made HTML5+CSS+JavaScript version of CNDO/2. You need Web Browser that can run HTML5. For PC/Mac Chrome, Safari or FireFox4.0 is recommended. iPad with Mobile Safari is also one choice. IE9 may not work because HTML5 implementation is very poor. IE below 9 are not support HTML5. Please follow this link.
