Accurate theoretical near-equilibrium potential energy and dipole moment surfaces of HgClO and HgBrO.


The complexes HgBrO and HgClO have been previously determined by ab initio methods to be strongly bound and were suggested to be important intermediates during mercury depletions events observed in the polar troposphere. In the present work accurate near-equilibrium potential energy surfaces (PESs) of these species are reported. The PESs are determined… (More)

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