CCL:G: Radical cation calculations
- From: Sergio Manzetti <sergio.manzetti:gmail.com>
- Subject: CCL:G: Radical cation calculations
- Date: Wed, 12 Oct 2011 15:58:31 +0200
Dear CCLrs, which basis set is most appropriate for calculating radical cation
species of aromatic compunds? Which pitfalls and details should one inlcude in
the preparation of the run file for Gaussian?
With all the best
Sergio