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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
Pure compound property prediction
Solvent Optimization
Python Scripting with COSMO-RS
pyCRS: a python wrapper for thermodynamic calculation
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Python scripting for COSMO-RS with PLAMS
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Python Scripting with COSMO-RS
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pyCRS: a python wrapper for thermodynamic calculation
pyCRS: a python wrapper for thermodynamic calculation
¶
General Information
Overview
Database
Introduction
Basic Usage
Adding multiple conformers
CRSManager
Introduction
Basic Usage
Additional Keywords
API
Database
CRSManager
PropPred
FastSigma
Input
Output
Molecule