From owner-chemistry@ccl.net Sun Feb 10 08:16:01 2008
From: "Sina T reli sinatureli . gmail.com" <owner-chemistry=server.ccl.net>
To: CCL
Subject: CCL: Formal charges
Message-Id: <-36258-080210081129-22658-OGxx4Xkhwe3OfkUx/5rkeQ=server.ccl.net>
X-Original-From: "Sina  T  reli" <sinatureli{:}gmail.com>
Date: Sun, 10 Feb 2008 08:11:26 -0500


Sent to CCL by: "Sina  T  reli" [sinatureli{:}gmail.com]
Hello,

Is there any tool that will calculate formal charges on a molecular system and display it? I have tried spartan but couldnt figure how it displays formal charges though there is an option for it in the display menu...

Thanks


From owner-chemistry@ccl.net Sun Feb 10 17:38:00 2008
From: "Piotr Pieniazek pap++almaak-01.usc.edu" <owner-chemistry#server.ccl.net>
To: CCL
Subject: CCL: walrafen water cluster
Message-Id: <-36259-080210134839-17422-KKrAk8pAnP9lCZoZ9UnCWw#server.ccl.net>
X-Original-From: Piotr Pieniazek <pap%%almaak-01.usc.edu>
Content-transfer-encoding: 7BIT
Content-type: TEXT/PLAIN; charset=US-ASCII
Date: Sun, 10 Feb 2008 10:02:48 -0800 (PST)
MIME-version: 1.0


Sent to CCL by: Piotr Pieniazek [pap^almaak-01.usc.edu]
Hi All,
I have been trying to figure out how the Walrafen cluster looks like. I
looked at the original paper but I cannot figure out how the peripheral
water molecules are oriented. Does anybody have an XYZ or ZMAT file?

Thanks,
Piotr

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"Character consists of what you do on the third and fourth tries."
James A. Michener

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