Fig. 3
Illustration of key outputs of the AMADAR program: S (Synchronicity index in Å); Reaction force analysis (E, F, in kcal, kcal/\(\xi\) and kcal/\(\xi\)2 respectively); Atomic decomposition of the reaction force constant (\(\kappa\) in Hartree/bohr2): the violet and maroon curves indicate contributions from the two pairs of interacting atoms from the diene and dienophile. The dashed line gives the \({\kappa }_{\xi }^{atoms}\) component of \(\kappa\)