Isomerization Modes and Longuet-Higgins Groups

We analyze the relationship between two fundamental aspects of the study of molecular non‐rigidity: isomerization modes and Longuet‐Higgins groups. We introduce a new formulation of isomerization modes including permutationsinversion. We show how to use this new representation of isomerization modes for constructing Longuet‐Higgins groups, and we illustrate it on an...