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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 50, 1983 - Issue 4
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Original Articles

Quasi-classical dynamics on the ground state surface of H2O

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Pages 635-644 | Received 09 Jun 1983, Accepted 22 Jun 1983, Published online: 23 Aug 2006
 

Abstract

Quasi-classical trajectories have been carried out on a 2-valued surface for the singlet ground state of H2O. The calculated rate constants for both O(1 D) + H2(1Σg +) →OH(2Π) + H(2 S) and D(2 S) + OH(2Π) →H(2 S) + OD(2Π) are in good agreement with experimental values. For D(2 S) + OH(2Π) collisions above 2 eV, O(1 D) can be produced but the probability for this is low.

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