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First-Principles Molecular Dynamics Evaluation of Thermal Effects on the NMR1JLi,C Spin–Spin Coupling

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https://hal-normandie-univ.archives-ouvertes.fr/hal-02357635
Contributor : Catherine Fressigne <>
Submitted on : Sunday, November 10, 2019 - 4:30:55 PM
Last modification on : Thursday, July 30, 2020 - 3:13:44 AM

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Aurélien De la lande, Catherine Fressigné, Hélène Gérard, Jacques Maddaluno, Olivier Parisel. First-Principles Molecular Dynamics Evaluation of Thermal Effects on the NMR1JLi,C Spin–Spin Coupling. Chemistry - A European Journal, Wiley-VCH Verlag, 2007, 13 (12), pp.3459-3469. ⟨10.1002/chem.200601108⟩. ⟨hal-02357635⟩

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