The Laplacian of the electronic charge density can be used to justify molecular structure, predict reactivity, and gain insight into a variety of chemical properties [1]. Lone pairs, unpaired electrons, electrophilic and nucleaphilic reactive sites can be clearly seen using theis technique, and qualitative predictions about reactivity are often readily apparent.
High-accuracy quantum calculations combine with high-quality rendering to produce images that are both beautiful and educational. We are prototyping a "book" of small molecules visualized using this technique for the world-wide-web.
References:
[1] R. F. W. Bader. Atoms in Molecules. Oxford. 1994.
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Web Work: Al Globus