Amir Nasser Shamkhali
amir_n_shamkhali@yahoo.com
Best wishes
On Sat Aug 24 '13 0:45am, Jim Kress wrote
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>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.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?