Subject: Methods for identifying resonance structures?

From: "Michael K. Gilson" <[email-masked]>
Date: Tue, 02 Jan 2001 14:43:20 -0500

Dear Colleagues,

Are there any algorithms for identifying the various resonance forms of
molecules, given one resonance form as a starter?  For example,
given
        O
       //
H-C
       \
        O(-)

identify the alternate form. This is for a cheminformatics application,
so quantum calculations probably would not be the way to go.

Thanks in advance,
Mike