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- W2027589414 abstract "Abstract The geometric parameters for hydrazoic acid and methyl azide were optimized at the HF/6-31G ** and MP2/6-31G ** levels and the vibrational frequencies of the compounds were calculated by use of these optimized geometries. The experimental frequencies are assigned on the basis of the calculated results. The effects of deutero-substitution and substitution of hydrogen in HN 3 by a methyl group are also discussed." @default.
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- W2027589414 date "1998-08-01" @default.
- W2027589414 modified "2023-09-27" @default.
- W2027589414 title "An ab initio study on the geometries and vibrational frequencies of hydrazoic acid and methyl azide" @default.
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- W2027589414 doi "https://doi.org/10.1016/s0166-1280(97)00268-6" @default.
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