Re: CCL:Quantum Biochemistry activities and meetings
- From: may abdelghani <may01dz *o* yahoo.fr>
- Subject: Re: CCL:Quantum Biochemistry activities and meetings
- Date: Sun, 8 May 2005 12:16:37 +0200 (CEST)
dear CCL's
if we change the frozen core electron for a given
atom in the input files to optimize a given geometry
ander DFT calculation, will this affect the resultat.
best regards
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