Electronic Transition Oscillator Strength by the Extended Hueckel Molecular Orbital Method - The Journal of Physical Chemistry (ACS Publications) - http://pubs.acs.org/doi...
and trying to think of more efficient ways to do Kekule assignment
- Geoffrey Hutchison
The problem I have with maximum matching algorithms is that you only get one solution. I prefer this approach : http://bioinformatics.oxfordjo... which gives you a set of solutions.
- gilleain