Fermi resonance in CO2: Mode assignment and quantum nuclear effects from first principles molecular dynamics

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https://hal.archives-ouvertes.fr/hal-01575066
Contributor : Riccardo Spezia <>
Submitted on : Thursday, August 17, 2017 - 4:38:08 PM
Last modification on : Thursday, November 7, 2019 - 12:00:07 PM

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Marie Basire, Félix Mouhat, Guillaume Fraux, Amélie Bordage, Jean-Louis Hazemann, et al.. Fermi resonance in CO2: Mode assignment and quantum nuclear effects from first principles molecular dynamics. Journal of Chemical Physics, American Institute of Physics, 2017, 146 (13), pp.134102. ⟨10.1063/1.4979199⟩. ⟨hal-01575066⟩

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