Long-range interactions within the H2O molecule

Rio, Carolina

http://hdl.handle.net/10400.1/5372

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Rio, Carolina

Abstract(s)

The long-range interactions between the atoms and diatoms in their ground and first excited states as they appear as fragments on the water dissociation have been modeled. The computed long-range coefficients, which are function of the interaction angle and the interatomic distance of the diatomic, are used to build potential energy functions to represent the long-range energies within this system.