Dear all,
I am trying to optimise my reaction pathway in
aqueous medium using gaussian03. In transition state water molecule is expected
to form six-membered ring and hence stabilise the structure. Is using cpcm model
and water as solvent is sufficient or i have to draw water molecule with
my structure showing stable TS. If yes kindly suggest additional keyword i have
to use and whether for reactant and product also i should draw water
molecule.
Thanks in advance.
Baljinder