Molecular orbitals (including the HOMO and LUMO), an electron density surface, an electrostatic potential map, a local ionization potential map and a LUMO map are among the graphical displays that can to be generated "on-the-fly". This is because each SSPD entry includes the wavefunction (from the EDF2/6-31G* density functional model).
Orbital energy diagram (left) and HOMO for cinnamic acid (below).
An electrostatic potential map for vitamin A shows hydrophilic regions in red (negative potential) and blue (positive potential) and hydrophobic regions in green.
A local ionization potential map for bicyclic diene reveals two likely sites for electrophilic attack: on the double bond of the six-member ring syn
to the two alkyl groups, and on double bond of the five-member ring anti
to the alkyl groups. Steric crowding (as indicated by the dots superimposed on the map) is less severe for attack onto the five-member ring. This result is consistent with the preferred epoxidation product.