Water Trimer Decay Rate
A molecular model is used to study the problem of time dependent bond breaking in a simple cluster system, the water trimer. The intermolecular vibrations of the cluster are broken down into normal modes. A cluster decay rate is calculated based on the rate at which the normal modes combine constructively to strain a bond to the breaking point. Strain energies arising from bond stretching and bond bending are included. The model can be extended to larger cluster sizes and offers an alternative technique to the classical approach for arriving at the kinetics of cluster growth.
D. E. Hagen and J. L. Kassner, "Water Trimer Decay Rate," Journal of Chemical Physics, vol. 61, no. 10, pp. 4292-4300, American Institute of Physics (AIP), Jan 1974.
The definitive version is available at https://doi.org/10.1063/1.1681733
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© 1974 American Institute of Physics (AIP), All rights reserved.
01 Jan 1974