Next-Generation Quantum Theory of Atoms in Molecules for the Ground and Excited State of the Ring-Opening of Cyclohexadiene (CHD)

Tian Tian, Tianlv Xu, Steven R. Kirk +2

The factors underlying the experimentally observed branching ratio (70:30) of the (1,3-cyclohexadiene) CHD$\to$HT (1,3,5-hexatriene) photochemical ring-opening reaction are…