Supplementary material for Gross et al. (2000) Proc. Natl. Acad. Sci. USA 97 (22), 1199011995.
Fig. 7. Contour plots of the highest occupied and lowest unoccupied molecular orbitals (HOMO and LUMO, respectively), of the optimized 6-31+G(d,p) molecular geometries. The plots were generated by using the program 3D-PLTORB, and depicted using QMVIEW, with contour surface value of 0.02 arbitraty units for both phases. The positive phase is red, and the negative phase is green. For further information and images see http://www.sdsc.edu/~kimb.