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Article Dans Une Revue Journal of Molecular Structure Année : 2018

Benchmarking fully analytic DFT force fields for vibrational spectroscopy: A study on halogenated compounds

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hal-01704357 , version 1 (08-02-2018)

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Andrea Pietropolli Charmet, Yann Cornaton. Benchmarking fully analytic DFT force fields for vibrational spectroscopy: A study on halogenated compounds. Journal of Molecular Structure, In press, ⟨10.1016/j.molstruc.2018.01.089⟩. ⟨hal-01704357⟩

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