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General
COSMO-RS, COSMO-SAC, UNIFAC
COSMO result files
The COSMO-RS program
Polymers with COSMO-RS(-SAC)
Pitzer-Debye-Hückel long-range electrostatic correction
The UNIFAC program
Compound Input
Program Input
Templates
Pure compound property prediction
Solvent Optimization
Python Scripting with COSMO-RS
Command Line Scripting with COSMO-RS
Required Citations
Keywords
FAQ
COSMO-RS
Documentation
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COSMO-RS
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The UNIFAC program
The UNIFAC program
¶
Using the UNIFAC program from the command line is documented in the following:
Compound Input
Basic Input
Physical Property Input
Program Input
List of possible input flags
Examples of general program flags
Templates
ACTIVITYCOEF
LOGP
PURESOLUBILITY
SOLUBILITY
PUREVAPORPRESSURE
VAPORPRESSURE
BINMIXCOEF
TERNARYMIX