A theoretical study of the rotational is
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Derek Higgins; Colin Thomson
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Article
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1988
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John Wiley and Sons
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English
β 899 KB
The conformational potential energy surface as a function of the two internal torsion angles in C-nitrosomethanol has been obtained using the semiempirical AM1 method. Optimized geometries are reported for the local minima on this surface and also for the corresponding points on the HF/6-31G, 6-31G\