PAH

serve as a modern replacement for the original web site serving the content of NIST Special Publication 922: Polycyclic Aromatic Hydrocarbon Structure Index (pdf)... This web site incorporates all of the structures found in SP922 plus a few additional related structures. More structures may be added over time based on user needs and feedback. In addition to the 2d structures which are included in SP922, 3d structures have been produced using density functional theory (DFT) optimizations. The 3d structures may be freely rotated using the JSMol viewer incorporated into this web page. Also, the 2d and 3d structures may be downloaded for further use.