Fig. 4. The top two principal components transformed onto the original malonaldehyde IRC. Vectors superimposed on the structures correspond to deformation vectors in going to the next structure along that PC (e.g., the vectors shown on the reactant structure shows the atomic movements necessary to go to the TSS, while the vectors on the TSS are the movements to get to product). Vector magnitudes were adjusted for clarity. These vectors are for illustrative purposes only, as they would change depending on the alignment of the structures along the PC. For videos of these PCs, see ; https://vimeo.com/335614575 for PC1 and ; https://vimeo.com/335614565 for PC2.
