Vibrational Spectroscopy in Solution through Perturbative ab Initio Molecular Dynamics Simulations

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https://hal.univ-lorraine.fr/hal-02267772
Contributor : Manuel Ruiz-Lopez <>
Submitted on : Monday, August 19, 2019 - 5:07:08 PM
Last modification on : Wednesday, September 25, 2019 - 2:07:20 PM

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Carlos Bistafa, Yukichi Kitamura, Marilia Martins-Costa, Masataka Nagaoka, Manuel Ruiz-Lopez. Vibrational Spectroscopy in Solution through Perturbative ab Initio Molecular Dynamics Simulations. Journal of Chemical Theory and Computation, American Chemical Society, 2019, 15 (8), pp.4615-4622. ⟨10.1021/acs.jctc.9b00362⟩. ⟨hal-02267772⟩

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