Firefly and PC GAMESS-related discussion club

Learn how to ask questions correctly  
We are NATO-free zone

Re^3: Calculation of NBO Charges

Amir Nasser Shamkhali

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?

[ Previous ] [ Next ] [ Index ]           Sat Aug 24 '13 11:07am
[ Reply ] [ Edit ] [ Delete ]           This message read 857 times