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Author Topic: How to perform calculation in solvent medium in ATK (Version: ATK-R-2020.09-SP1)  (Read 2972 times)

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Offline dua.harkishan@yahoo.com

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How to perform calculation in solvent medium in ATK (Version: ATK-R-2020.09-SP1)
« on: July 1, 2023, 13:38 »
I am using the QuantumATK-R-2020.09-SP1 version and I wish to run a system where solvation effects in a medium such as formaldehyde is considered. Is there any way to perform solvation effects in ATK?
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Offline Anders Blom

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Re: How to perform calculation in solvent medium in ATK (Version: ATK-R-2020.09-SP1)
« Reply #1 on: August 4, 2023, 19:53 »
Not in that version. COSMO and COSMO-RS analysis was added recently, in U-2022.12.
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