This website can be cited as:

Chen, S.; Fleming, S. A.; Ess, D. H. WebORA, 2021,

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Organic Reaction Trajectories

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Organic Reactions

Trajectory Details

The direct dynamics trajectories presented are displayed using JSmol. Each trajectory was generated using a density functional theory transition-state structure followed by vibrational normal mode sampling and propagation in forward and reverse directions using mass-weighted velocities with the Gaussian 16 program. Generally, a propagation step size of 0.5 femtosecond was used.

About Us

By adhering to accepted guidelines and standards for accessibility and usability webORA is committed to providing a website that is accessible to the widest possible audience. This work is the result of a Brigham Young University-Temple University collaboration with the goal of providing organic reaction animations based on physically correct direct dynamics simulations.

Prof. Ess, Prof. Fleming, Dr. Shusen Chen, and undergraduate students Nathan Todd, Allyson Yu and Josh Schneider have contributed to creating webORA. The development of webORA is supported by the US National Science Foundation: DUE-2121023 to Ess and DUE-2120871 to Fleming.

Contact Us

For more information, please contact Prof. Dan Ess ( or Prof. Steven Fleming (

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