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Re^5: Calculation of NBO Charges

Alex Granovsky


NBO v. 6 cannot be integrated. It can only be interfaced with ESS packages, to be used as a standalone program communicating with QC programs.

Kind regards,

On Sat Aug 24 '13 11:58pm, Jim Kress wrote
>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

>>>Is this v5 or v6 of NBO?


>>>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:

>>>>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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