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Alex Granovsky
gran@classic.chem.msu.su

NBO module incorporated into Firefly is the complete NBO version 5.G code. As the part of its functionality it supports NRT and steric analysis.

Kind regards,
Alex Granovsky


On Thu Jul 21 '11 11:57am, Sultana Bedoura wrote
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>Dear all,

>I want to do the NRT and steric analysis for a molecule but I am not sure that implemented NBO program  in firefly can be able to do that.If it can then how to do that. Please tell me in details that will help me a lot.

>Thanks

>Best regards
>Bedoura