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Re^4: Calculation of NBO Charges

Jim Kress
jimkress_35@kressworks.com


The question was directed to Alex, since there was an indication NBO v6 has been integrated into v8 of Firefly.

Jim Kress

On Sat Aug 24 '13 11:07am, Amir Nasser Shamkhali wrote
------------------------------------------------------
>Dear Jim
>The version of NBO is not important. Buying of NBO is difficult for me due to many problems for money transfer from Iran to other countries. I need only NBO charges to calculate Fukui functions.

>Best wishes
>
>
>
>On Sat Aug 24 '13 0:45am, Jim Kress wrote
>-----------------------------------------
>>Alex,

>>Is this v5 or v6 of NBO?

>>Jim

>>On Fri Aug 23 '13 11:03am, Alex Granovsky wrote
>>-----------------------------------------------
>>>Dear Amir,

>>>It is possible to calculate NBO charges with Firefly using
>>>Firefly's NBO module. You need to buy the NBO license first
>>>(it is inexpensive, ca. $ 35) from TCI/NBO. See the following
>>>link for additional information:

>>>http://classic.chem.msu.su/gran/gamess/nbo.htmlhttp://classic.chem.msu.su/gran/gamess/nbo.htmlhttp://classic.chem.msu.su/gran/gamess/nbo.htmlhttp://classic.chem.msu.su/gran/gamess/nbo.htmlhttp://classic.chem.msu.su/gran/gamess/nbo.htmlhttp://classic.chem.msu.su/gran/gamess/nbo.htmlhttp://classic.chem.msu.su/gran/gamess/nbo.htmlhttp://classic.chem.msu.su/gran/gamess/nbo.html
>>>
>>>
>>>Kind regards,
>>>Alex Granovsky
>>>
>>>
>>>
>>>On Thu Aug 22 '13 2:51pm, Amir Nasser Shamkhali wrote
>>>-----------------------------------------------------
>>>>Dear All
>>>>Is it possible to calculate only NBO charges by firefly?


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