Vibrational Spectroscopy in Solution through Perturbative ab Initio Molecular Dynamics Simulations - Université de Lorraine
Journal Articles Journal of Chemical Theory and Computation Year : 2019

Vibrational Spectroscopy in Solution through Perturbative ab Initio Molecular Dynamics Simulations

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Theoretical and/or physical chemistry

Manuel Ruiz-Lopez  : Connect in order to contact the contributor

https://hal.univ-lorraine.fr/hal-02267772

Submitted on : Monday, August 19, 2019-5:07:08 PM

Last modification on : Friday, May 31, 2024-12:52:15 PM

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hal-02267772 , version 1 (19-08-2019)

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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, 2019, 15 (8), pp.4615-4622. ⟨10.1021/acs.jctc.9b00362⟩. ⟨hal-02267772⟩

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