Statements (26)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
thermodynamic model
|
| gptkbp:appliesTo |
chemical engineering
environmental chemistry pharmaceutical industry |
| gptkbp:basedOn |
statistical thermodynamics
quantum chemical calculations |
| gptkbp:developedBy |
Andreas Klamt
|
| gptkbp:firstPublished |
1995
|
| gptkbp:fullName |
Conductor-like Screening Model for Real Solvents
|
| https://www.w3.org/2000/01/rdf-schema#label |
COSMO-RS
|
| gptkbp:input |
molecular surface polarization charge densities
|
| gptkbp:output |
thermodynamic properties
activity coefficients partition coefficients solubility data |
| gptkbp:relatedTo |
gptkb:COSMO_model
solvation models |
| gptkbp:software |
COSMOtherm
TURBOMOLE |
| gptkbp:usedFor |
activity coefficient calculation
partition coefficient prediction phase equilibria calculation predicting thermodynamic properties of liquids solubility prediction |
| gptkbp:bfsParent |
gptkb:Amsterdam_Modeling_Suite
|
| gptkbp:bfsLayer |
7
|