Author Topic: Implicit solvation in periodic systems?  (Read 103 times)

sringe

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Implicit solvation in periodic systems?
« on: July 26, 2021, 04:26:06 AM »
Hello everyone,

I would like to know if it is possible in TURBOMOLE to run COSMO in periodic boundary conditions?

Also is there any other solvation model implemented into TURBOMOLE despite COSMO?

And finally, does COSMO alloy the simulation of anisotropic dielectric (dielectric tensor) and electrolytes?

Best,

Stefan