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CCL
December 16, 2010
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From:
Johannes Johansson <johjo76- -gmail.com>
Date:
Thu, 16 Dec 2010 10:30:55 +0100
Subject:
CCL: geometry optimization of O2 (singlet delta)
From:
Johannes Johansson <johjo76~~gmail.com>
Date:
Thu, 16 Dec 2010 13:29:38 +0100
Subject:
CCL:G: geometry optimization of O2 (singlet delta)
From:
asp <asp99^^yandex.ru>
Date:
Thu, 16 Dec 2010 12:17:34 +0300
Subject:
CCL:G: convering ORCA GBW file
From:
Sathya Perumal <sathya__theochem.kth.se>
Date:
Thu, 16 Dec 2010 13:19:53 +0100
Subject:
CCL:G: geometry optimization of O2 (singlet delta)
From:
Gerard Pujadas <gerard.pujadas^-^gmail.com>
Date:
Thu, 16 Dec 2010 16:19:26 +0100
Subject:
CCL: How to identify duplicates for the same molecule that correspond to different tautomers or protonation states?
From:
Zork Zou <zorkzou---gmail.com>
Date:
Thu, 16 Dec 2010 09:48:05 -0600
Subject:
CCL:G: convering ORCA GBW file
From:
Wolf Ihlenfeldt <wdi*o*xemistry.com>
Date:
Thu, 16 Dec 2010 16:31:57 +0000
Subject:
CCL: How to identify duplicates for the same molecule that correspond to different tautomers or protonation states?
From:
Zsolt Zsoldos <zsolt|a|simbiosys.ca>
Date:
Thu, 16 Dec 2010 11:58:49 -0500
Subject:
CCL: How to identify duplicates for the same molecule that correspond to different tautomers or protonation states?
From:
Mikko Vainio <mikko.vainio()abo.fi>
Date:
Thu, 16 Dec 2010 19:02:14 +0200
Subject:
CCL: How to identify duplicates for the same molecule that correspond to different tautomers or protonation states?