Figure 2.
UB3LYP/BS1-optimized geometries of the isolated reactants 61Cl/61Br as obtained in Gaussian with bond lengths given in Å. Relevant molecular valence orbitals are shown on the right.
UB3LYP/BS1-optimized geometries of the isolated reactants 61Cl/61Br as obtained in Gaussian with bond lengths given in Å. Relevant molecular valence orbitals are shown on the right.