Highest Energy Occupied Orbital_____Second Highest Energy Occupied Orbital
(2.1 MB, 260x260 pixels, 242 frames)____(2.2 MB, 260x260 pixels, 242 frames)
(notes about playing MPEGs are at bottom of page)
These Diels-Alder animations are based on a reaction trajectory simulation done by Anil Roopnarine using the Gaussian 92 wavefunction calculation software.
Still frames from the Diels-Alder MPEG:
(8.2 MB, 300x240 pixels, 1006 frames) (14.4 MB, 450x350 pixels, 1007 frames)
(2.6 MB, 250x250 pixels, 203 frames)___(4.4 MB, 220x220 pixels, 405 frames)
(6.6 MB, 450x350 pixels, 405 frames)___(1.6 MB, 400x400 pixels, 75 frames)
The MPEG movies can be played (on Unix machines) with
Most PC-Compatibles will play these mpegs with no extra software.
The best combination of options I know of for speed and image quality is obtained by running "xanim -Cn +bC3dmT2 file.mpeg". (The "T2" makes it display the frame numbers.)
(In netscape, if you want to save a file to disk instead of playing it directly with the default options, hold down the Shift key when you click on the link.)
Mail for Jim: firstname.lastname@example.org