Charge related custom chemical functions, including polarizability and electronegativity.
For more information, see Charge Plugin.
Returns the formal charge of a specified atom in the input molecule.
Returns the sigma orbital electronegativity of a specified atom in the input molecule.
Returns the electronegativity of a specified atom in the structure.
Atomic polarizability is altered by partial charges of atoms. Our calculation takes into account the effect of partial charge upon atomic polarizability as well as the 2D and 3D geometries. For more information, see Molecular modeling plugins.
Returns the molecular polarizability value.