Ab initio calculations of vibrational spectra and their use in the identification of unusual molecules

作者： B. Andes Hess , Lawrence J. Schaad , Petr Carsky , Rudolf Zahradnik

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摘要: … One application of ab initio vibrational calculations is in the … , that we suggest ab initio calculations will be of greatest use. … in the ab initio calculation of both the vibrational frequencies of …

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Ab initio calculations of vibrational spectra and their use in the identification of unusual molecules

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Ab initio calculations of vibrational spectra and their use in the identification of unusual molecules

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