FukuiProperty

The result type associated with property calculations including properties=["fukui"].

Fields

nucleophilic

Fukui nucleophilic attack susceptibility for each atom.

• Type: Array[float]

electrophilic

Fukui electrophilic attack susceptibility for each atom.

• Type: Array[float]

radical

Fukui radical attack susceptibility for each atom.

• Type: Array[float]

chemical_potential

Chemical potential of the molecule.

• Type: float

electronegativity

Electronegativity of the molecule.

• Type: float

hardness

Chemical hardness of the molecule.

• Type: float

softness

Chemical softness of the molecule.

• Type: float