CCL:G: HOMA analysis

[baljinder <baljinder7{:}gmail.com>]

Thank You Eduard for suggestion and informative link

On Thu, Nov 11, 2010 at 8:35 PM, Eduard Matito ematito!=!gmail.com <owner-chemistry**ccl.net> wrote:

Sent to CCL by: Eduard Matito [ematito%a%gmail.com]
I'm afraid HOMA it's not implemented in Gaussian, but its calculation can be done
on the back of an envelope, you only need distances and few constants.
This topic was already discussed in CCL. See e.g.:

http://www.ccl.net/cgi-bin/ccl/message-new?2009+05+11+010

Eduard

On Nov 11, 2010, at 5:15 AM, baljinder grewal baljinder7]^[gmail.com wrote:

Sent to CCL by: "baljinder  grewal" [baljinder7%a%gmail.com]
Dear all,
I need to quantify the extent of -electron delocalization of series of compound.In  literature it is reported to be done by HOMA (harmonic oscillator measure of aromaticity) analysis using gaussian software , but method to do same is not reported .Kindly suggest any keyword or specific tutorial i have to refer .

Thanks in advance



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Eduard Matito
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