Anomeric effect potential-function calculations

V. The Anomeric and Exo-anomeric Effects in Potential-Function Calculations. .. 103... 

Fig. 4. Modelling of the torsion potential of the exo anomeric effect using the results of the ab initio calculation of dimethoxymethane. The difference between the non bonded terms and the ab initio calculation is fitted with the general function of torsion potentials to yield the equations for the oc-and the P-anomers discussed in Sect. 2.5.3 for the HSEA method...

Radom et al. (234) seem to have been the first to interpret internal rotation in molecules exhibiting the anomeric effect by means of a Fourier expansion of the potential function. They performed ab initio SCF MO calculations for a wide variety of molecules but without geometry optimization. It was found that internal rotation in ethane, propane, fluoroethane, and methylamine is... 

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