From owner-chemistry@ccl.net Tue Oct 18 14:08:01 2005
From: "S. I. Gorelsky gorelsky::stanford.edu" <owner-chemistry|-|server.ccl.net>
To: CCL
Subject: CCL: W:Bond order
Message-Id: <-29640-051018122758-6035-ntvk4sX+U8Gi8D2ZbVlWYw|-|server.ccl.net>
X-Original-From: "S. I. Gorelsky" <gorelsky%x%stanford.edu>
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Date: Tue, 18 Oct 2005 09:27:45 -0700
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Sent to CCL by: "S. I. Gorelsky" [gorelsky##stanford.edu]
Hello,

calculations of various bond orders (2-center Wiberg, Mayer, and Lowdin, abd
3-center indices) for large molecules can be done using the AOMix package
(http://www.sg-chem.net/aomix/). For the calculation details and
references, please check the AOMix Manual.

Best regards,

S. Gorelsky



Quoting "yang zhen na yangzn553/anenu.edu.cn" <owner-chemistry(!)ccl.net>:

>
> Sent to CCL by: "yang zhen na" [yangzn553**nenu.edu.cn]
> How to calculate the bond order of large molecule?>
>
>
>