What are the new method and basis set used to optimize the cocrystals?

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Should i have to change the structure of my transition state, optimized on lower basis set to run on higher basis set?

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Waseem Ahmad Ansari

Haniyeh Baluch

Assalam o alaikum wa rahmatullahi wa barkatuhu

First of all it depends upon you compounds atoms and second one what do you wanna study. BTW B3LYP-6-31G standard basis set. and also you can go through this link https://www.basissetexchange.org/

wa alikum o salam wa rahmatullah...

I want the Common methods and basis set for optimization Cocrystal...

Thank you.

First of all you should go through standard basis set

Thank you so much.