Metadynamics of [10]helicene racemization

Helicenes are helical polyaromatic molecules. They are chiral but they can racemize. Racemization rates depend on the number of benzene rings. Metadynamics used two CV, one psoudotorsion (one stereoisomer in on left, one on right) and the sum of scalar products of vectors perpendicular to rings (this CV is low for stable helicenes and high for the transition state). This metadynamics was used primarily for demonstration of MetadynView.