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    Ab initio MO-SCF calculation on a model of anomalous water

    Ab initio calculations are carried out on the planar hexamer model of anomalous water using a variety of basis sets. The results are compared to results of similar calculations on free water and water in the ice...

    Professor J. R. Sabin, R. E. Harris, T. W. Archibald in Theoretica chimica acta (1970)