CCL: W:Bond order
- From: "S. I. Gorelsky"
<gorelsky%x%stanford.edu>
- Subject: CCL: W:Bond order
- Date: Tue, 18 Oct 2005 09:27:45 -0700
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?>
>
>
>