solvation
Dear Netters,
- could someone compare (or point out an appropriate paper) Cramer/Truhlar's
vs Zerner/Katritzky's (vs any other available) methods of including
solvent enviroment in semiempirical calculations.
- could someone outline the new keywords, connected with solvation, available
in amsol. I'm trying to use Mopac 6 with 'sol' (Mosol) obtained by ftp, but
I was denied Amsol manuals by QCPE. Evidently one can receive copies of
manuals only with an order of appropriate software.
any help will be appreciated, thanks,
Piotr