ChemNeuro
(Japanese only)
E-mail
2007.12.11
We developed Alfrey-Price
Q-e value estimation scheme by using Neural Networks.
In this study, at first, we need to calculate monomer by using MOPAC PM3.
With some other data and PM3 result we put them into Neural Networks, and we
finally get these result.
CNDO/2 calculation for monomer. 2005.7.20