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Gakh, A.A.; Gakh, E.G.; Sumpter, B.G.; Noid, D.W., Neural Network-Graph Theory Approach to the Prediction of Physical Properties of Organic Compounds, J. Chem. Inf. Comput. Sci., 1994, 34, 832-9. [all data]
Sumpter, B.G.; Martens, C.C.; Ezra, G.S., Interaction of molecular rotation with large-amplitude internal motions: a rigid twister model of hydrogen peroxide, J. Phys. Chem., 1988, 92, 7193. [all data]