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- The ground state water molecule and the reactions O(1D) + H2/D2/HD and H + OD that occur in this systemPublication . Rio, Carolina; Brandão, J.; Wang, WenliDue to their importance in atmospheric and combustion chemistry, the reactions of O(1D) with H2 and its isotopic variants HD and D2 have been subject of several theoret- ical1, 2 and experimental2, 3 studies.
- Isotopic effect in the O(1D) + DH reaction and H + OD <- > OH + D equilibrium.Publication . Rio, Carolina; Brandão, J.; Wang, WenliIn this work a recent double-valued potential energy surface for water molecule [1] is used in order to study the isotopic effect in O(1D) + DH reaction, by using quasiclassical trajectory calculations (QCT).