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• W2018227886 abstract "Theoretical equilibrium geometries for ketenimine, aminoacetylene and ethynol have been obtained using the MP3/6-31G** ab initio method. Empirical scaling factors have been introduced to estimate the rotational constants Ao, Bo and Co. In addition the complete harmonic force fields for ketenimine, ketene and diazomethane have been computed, normal coordinate analyses have been performed and the quartic centrifugal distortion constants estimated." @default.
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• W2018227886 modified "2023-10-14" @default.
• W2018227886 title "Ab initio studies of the structures and force fields of ketenimine and related molecules" @default.
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• W2018227886 doi "https://doi.org/10.1016/0301-0104(85)80175-0" @default.
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