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Molecular symmetry properties of conical intersections and nonadiabatic coupling terms: theory and quantum chemical demonstration for cyclopenta-2,4-dienimine (C5H4NH).
This paper discovers molecular symmetry (MS) properties of conical intersections (CIs) and the related nonadiabatic coupling terms (NACTs) in molecules which allow large amplitude motions such as
Effects of molecular symmetry on quantum reaction dynamics: novel aspects of photoinduced nonadiabatic dynamics.
It is shown that the nuclear spin of the system determines the symmetry of the initial nuclear wave function and thus influences the torsional dynamics, which may open new possibilities for nuclear spin selective laser control of nuclear dynamics.