Properties Estimation: Hydrogen Bonding energy estimation with HTML5 program
2011.3.21
iPad/PC/Mac Your browser need support HTML5.
iPhone, iPod Touch Touch event is needed (Not working with Mouse event)
If you are using adequate browser, please run the program on sub-window and try with reading follow article. Please refer to How to Draw Molecule with HTML5 version
If you run this program, you will see the window like below. Then draw molecule and push HB button, you will get the calculation result.
Without Pass Code, you can not use F, Cl, X atom.
For iPhone version, you can draw molecule with only finger touch.(Will not react with mouse)
Is there any other method predicting
hydrogen bonding energy?
Expensive MO calculation give us this energy but not convenient compare with
this method. Please sketch alcohol and push calc. button. Hydrogen bonding
energy would be 12kJ/mol, then increase temperature to 70 C then it become
8.7KJ/mol. Ketone, ester, ether, amine and acid please depict molecular structure
and calculate Hydrogen bonding energy with certain temperature. Actually I
believe this hydrogen bonding energy estimation is one of the most difficult
property estimation in my site. Though most unpopular page in my site. But this property is very
important when estimating boiling point, heat of vaporization,
vapor pressure, viscosity, surface tension so on. There is no example exist in WWW nor in literature.
