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CCL
September 6, 2007
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From:
Philippe Carbonniere <philippe.carbonniere+/-univ-pau.fr>
Date:
Thu, 06 Sep 2007 08:58:26 +0200
Subject:
CCL:G: error in using the B3LYP/aug-cc-TZVP
From:
Philippe Carbonniere <philippe.carbonniere[a]univ-pau.fr>
Date:
Thu, 06 Sep 2007 09:40:48 +0200
Subject:
CCL:G: IR (band) spectrum from calculated frequencies
From:
"Ula Uciechowska" <urszula.uciechowska-#-pharmazie.uni-halle.de>
Date:
Thu, 6 Sep 2007 08:58:40 -0400
Subject:
CCL: DelPhi error
From:
"steve heller" <srheller]_[nist.gov>
Date:
Thu, 6 Sep 2007 18:59:16 -0400
Subject:
CCL: InChI version1.02beta; introducing InChIKey