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usnistgov / COSMOSAC

A Benchmark Implementation of COSMO-SAC
MIT License
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activity coefficient accuracy #25

Closed s08065451 closed 1 year ago

s08065451 commented 1 year ago

There are three methods, COSMOSAC-2002, COSMOSAC-2010, and COSMOSAC-dsp to predict activity coefficient values. However, different database and different method will lead to different prediction value. How do I know which prediction is more accurate?

ianhbell commented 1 year ago

Good question. You should compare with experimental data!

s08065451 commented 1 year ago

Thanks for your replying!