COSMO result files
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COSMO-RS needs as input for the calculation so called COSMO result
files for each compound, which are results of quantum mechanical
calculation using COSMO. In ADF such a COSMO result file is called an
adf.rkf file (previously ADF<=2019 known as TAPE21 or as a .t21 file)
or a COSKF file (.coskf). With Fast Sigma such a COSMO result file is
a COMPKF file (.compkf). With MOPAC such a COSMO result file is a .cos
file, which can be converted to a COSKF file. In other programs such a
file could be called a .cosmo file. ADF has databases of .coskf files,
the COSMO-RS compound database ADFCRS-2018 (including ionic liquids)
and the COSMO-RS polymer database ADFCRS-2019. At
https://design.che.vt.edu  one may find a database of .cosmo files,
which were made with a different program. Note that the optimal COSMO-
RS parameters may depend on the program chosen.

* ADF COSMO calculation

  * ADF COSMO settings

  * Atomic cation or anion

  * Accuracy

  * Cavity construction

* ADFCRS-2018 Database

  * ADFCRS-2010

  * ADFCRS-IL-2014

* ADFCRS-POLYMERS-2019 Database

* FastSigma: a QSPR method to estimate COSMO sigma-profiles

  * Introduction

  * Input options

  * GUI Input

  * Examples

* MOPAC COSMO calculation
