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COSMO Energy Calculations
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Cosmo
Running_NWChem
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Nida
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Oct 6, 2020, 3:40:41 PM
10/6/20
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Hello!
When running a frequency calculation with COSMO, do the calculated entropic and enthalpic corrections include solvent effects?
Thank you!
Edoardo Aprà
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Oct 6, 2020, 3:44:05 PM
10/6/20
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The following is a good reference
https://sites.google.com/a/ncsu.edu/cjobrien-nwchem-tips/interpreting-thermodynamic-output
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