CCL: Composition of Molecular orbital

From: Serge Gorelsky <gorelsky-.-gmail.com>
Subject: CCL: Composition of Molecular orbital
Date: Fri, 4 Sep 2009 10:30:38 -0400

 Sent to CCL by: Serge Gorelsky [gorelsky_+_gmail.com]
 Please check the AOMix manual
 (http://www.sg-chem.net/aomix/AOMix-manual.pdf) - it provides
 the
 description about how to assess compositions of molecular orbitals.
 S.G.
 On Fri, Sep 4, 2009 at 9:37 AM, Abhinav Kumar
 abhinavmarshal]|[gmail.com<owner-chemistry-#-ccl.net> wrote:
 >
 > Sent to CCL by: "Abhinav  Kumar"
 [abhinavmarshal{=}gmail.com]
 > How I can asses the exact composition of molecular orbital in a TD-DFT
 calculation.
 >
 > Abhinav Kumar
 > abhinavmarshal|a|gmail.com
 > Department of Chemistry
 > Faculty of Science
 > Lucknow University
 > Lucknow 226 007
 > India
 >
 >
 >
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 --
 Best regards,
   Serge Gorelsky