Orbital Electronegativity

Partial charge distribution of the molecule is governed by the orbital electronegativity (orbital EN) of the atoms in the molecule. The Orbital Electronegativity Plugin is able to calculate the orbital EN values of atoms in a molecule.

Input ports

1. Type: Table
   Data Input
   Input table that contains structure in Structure(Mrv, Sdf, Smiles, etc.) format.

Output ports

1. Type: Table
   Data Output
   Output table that contains orbital electronegativity.