Global Properties

About

The following global properties are available for entries in PFAS Studio V:

1. Net Charge

2. Molecular Weight

3. Molecular Dipole [D]

4. Molecular Quadrupole [D]

5. Highest Occupied Molecular Orbital (HOMO) [eV]

6. Lowest Unoccupied Molecular Orbital (LUMO) [eV]

7. HOMO-LUMO Gap [eV]

8. Fermi Level [eV]

9. Electron Affinity [eV]

10. Ionization Potential [ev]

11. Collision Cross Section [$\AA^2$]

Global properties are considered any molecular property that is derived from a computation of the structure. This category does not include any of the identifiers for the molecule.

Note: not all properties are available for all molecules. If a desired property is not available for the structure you are interested in, please contact [email protected] to discuss having the properties added.

Find

The Global property table can be found in the Global section in the property tree: