Fig. 11. Structural changes along the acrylonitrile IRC transformed into PC1 using (a) aligned Cartesian coordinates and (b) squared interatomic distances as inputs to PCA. (c) The absolute deviation of the N2O bond distances in the reconstructed scans compared to the original scan, comparing these bonds using aligned Cartesian coordinates (“Cartesians”) input to PCA (blue) and squared interatomic distances (“Distances”) input (red). For videos of these PCs, see ; https://vimeo.com/336110236 for PC1: “Cartesians” input and ; https://vimeo.com/335614657 for PC1: “Distances” input.
