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SAMOA Version 1.0
Purpose | Components | Download
  • Purpose
    • To analyze molecular structures.
    • To calculate and analyze molecular electronic structure of a molecule or a molecular fragment of a crystal using the extended Hückel method.
    • To create 3D plots of molecular orbitals.

 

  • Module Components of SAMOA 1.0 (SAMOA 1)
Module Description
MASC To create, edit and analyze structural details of a molecule.
MC To calculate MOs for molecules and perform FMO, DOS and DOP analysis.
MP To visualize and analyze interactively the results obtained by MC.
newMI To create input files for MC.
mascM To create 3D plots of molecular orbitals.
 
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