A method is developed for incorporating strain energy into a microphysical treatment of small prenucleation water clusters. The molecules are arranged in a clathrate-cage structure, and this structure is allowed to relax to minimize the strain energy resulting from hydrogen bond stretching and bending. The method is applied to various cluster sizes up to 130 molecules and the results are compared with the classical liquid drop model. The effect of anharmonic terms in the interaction is included.
D. E. Hagen, "Structural Strain in Small Prenucleation Water Clusters," Journal of Chemical Physics, vol. 61, no. 7, pp. 2950-2956, American Institute of Physics (AIP), Jan 1974.
The definitive version is available at https://doi.org/10.1063/1.1682438
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© 1974 American Institute of Physics (AIP), All rights reserved.
01 Jan 1974