How can calculate The molecular systems, CPB and CPB-Ag6 initially optimized using Density functional theory?

03 July 2023 1 6K Report

I want, the way to calculate The molecular systems, CPB and CPB-Ag6 initially optimized using Density functional theory?

Roberto D'Agosta

Dear Huda,

You should first of all tell us what do you want to calculate.

Do you want to reproduce the results obtained by somebody else? How? Which codes do you have available?

Without some more pieces of information, it is difficult to be of any help.

Regards,

Roberto

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