Combining ab-initio and classical molecular dynamics simulations to unravel the structure of the 2D-HB-network at the air-water interface

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https://hal-univ-evry.archives-ouvertes.fr/hal-02082460
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Submitted on : Thursday, March 28, 2019 - 11:47:36 AM
Last modification on : Thursday, July 4, 2019 - 11:00:08 AM

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Alessandra Serva, Simone Pezzotti, Sana Bougueroua, Daria Ruth Galimberti, Marie-Pierre Gaigeot. Combining ab-initio and classical molecular dynamics simulations to unravel the structure of the 2D-HB-network at the air-water interface. Journal of Molecular Structure, Elsevier, 2018, 1165, pp.71-78. ⟨10.1016/j.molstruc.2018.03.074⟩. ⟨hal-02082460⟩

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