FIGURE 4.

DFT-calculated Raman spectra for botryococcenes. A, structure of the two forms of C₃₁ botryococcene identified in B. braunii. B, DFT-calculated Raman spectra for squalene and the indicated botryococcenes. DFT calculations were performed using the GAUSSIAN 03 package, and the computed spectra were assembled using the GaussView 4.1.2 program.