A soda crystal showing polyhedra, imported in FDAT format into SPARTAN 5.1. Also possible are display of unit cells, custom extended (repeating) structures, and different polyhedra colors and atom centers.

The image left shows an isosurface of constant electrostatic potential with a concentration of negative charge around the oxygen of acetone.

Sn2 addition of bromide to methyl chloride. Shows variation in Energy and HCCl Angle as functions of CCC Distance. This plot was created from a sequence of 41 structures. Also shown are the Van der Waals models of the first and last Sn2 structures in sequence.

All Wavefunc properties. These properties include Molecular Orbitals, Electrostatic Potential, Spin Density, and Electron Density. These properties can be mapped to each other in order to give simple illustrations of complex relationships.

Examples:

Molecular Orbitals and Electrostatic Potential #1 | Spin Density and Electron Density | Molecular Orbitals and Electrostatic Potential #2

Highest Occupied Molecular Orbital
Red and blue represent the negative and positive lobes, respectively, of the HOMO. 

Electron Density Isosurface
The electron density surface corresponds to the Van der Waals shape of the molecule. 

Electrostatic Potential
The electrostatic potential shows regions of electronegativity corresponding to the two unshared pairs of electrons on the oxygen and to the unshared pairs on each of the nitrogens. 

Electrostatic Potential on Electron Density
This surface shows the relative electrostatic potential at the Van der Waals surface of the molecule. Colors on this surface proceed from red to blue with increasing electrostatic potential. 

Transition State for Ring Closure of 4-Pentenyl Radical

Spin Density
The spin density isosurface represents the distribution of the unpaired electron.

Electron Density
The electron density of the same molecule (at less than the value contributing to the Van der Waals distance) reveals partial bond formation between the radical and vinyl carbons. 

Spin Density Mapped to the Electron Density
The map of the spin density to the electron density, with color gradations indicates the contribution of the unpaired electron to the overall electron distribution. 

Spreadsheet showing Bond Angles, Bond Distances, and Energies at various stages of Sn2 reaction.

Shown above (left to right, top to bottom): Wire, Ball & Wire, Tube, Ball & Spoke, and Space Filling styles. Polyhedra displays are also available for imported crystal structures.

Regular 3D images like these . . .

. . . turn into stereo 3D images like these!

You need 3D colored glasses to view the stereo 3D images.

All Wavefunction software offers a number of display styles, including the transparent solid and mesh display shown above. Also available are opaque solid and dot representations. 

Electrostatic potential maps for three stages of Sn2 reaction (bromide addition to methyl chloride). Texture mapped surfaces show redistribution of charge during the course of the reaction; red band indicates the area of most negative potential (negative charge), while blue band shows the area with the most positive potential (positive charge).

Left, a Phenylalanine trimer showing some of the different styles which can be used to display a slice in Spartan.