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Graphical Displays
   
 
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.
 

 
LUMO map shows that the lowest-unoccupied molecular orbital map of trans-2-decalone is more exposed (more likely to undergo nucleophilic attack) on the axial face (left) of the carbonyl group than on the equatorial face (right).