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From:  Prashant Singh Rana <>
Date:  Tue, 31 Jul 2012 23:36:18 +0530
Subject:  CCL: How to calculate the ionization energy of nickel (Ni21) using quantum espresso ?

From:  Klamt <klamt||>
Date:  Wed, 1 Aug 2012 04:37:59 +0200 (CEST)
Subject:  CCL: Alignment, 3D-Similarity and Molecular Field Analysis based on local COSMO sigma profiles