Sent to CCL by: Seth Olsen [s.olsen1],[uq.edu.au]
Hi CCLers,
I am interested in techniques which can provide a measure of
susceptibility to nucleophilic attack in a particular fragment across
a series of molecules. The goal is to have a quantitative measure of
how different substitutents at another site affect the likelihood of
nucleophilic attack at the site of interest.
This is somewhat removed from the areas of electronic structure to
which I am accustomed. I understand from reading Bader's book that
divots and bumps in the lapacian of the density can be an indication
of these, but I was wondering if there was something a little more
straightforward to analyze.
Can anyone point me to some references?
Many Thanks,
Seth