The A Matrix in Molecular Vibration–Rotation Theory

Torsional Angle Definitions and Linear and Quadratic Force Field Variations along the Torsional Coordinate for CH3OH and CH3CHO

“…To summarize, the basic equations (see (31) and references therein) for coordinate transformations determined by the above procedure are…”

How does a reaction path branching take place? A classification of bifurcation events

“…The PES of the electronic ground state for this model is an ndimensional paraboloid where n is the number of internal degrees of freedom [2]. Border-line cases studied are the large amplitude motion of light atoms, like an H atom in HCN bending [3,4], or the case of quasilinear molecules, like HCNO [5 -7].…”

The dipole moment derivatives of gaseous benzene: A comparison of experimental and ab initio values

“…It is essential to use the correct form of the transformation matrix so that the results are independent of the transformation. This has been the subject of a paper by Winnewisser and Watson [56]. In the current work, the transformation…”