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

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

Alessandra Serva ¹ Simone Pezzotti ² Sana Bougueroua ² Daria Ruth Galimberti ² Marie-Pierre Gaigeot ²

1 PHENIX - PHysicochimie des Electrolytes et Nanosystèmes InterfaciauX

2 LAMBE - UMR 8587 - Laboratoire Analyse et Modélisation pour la Biologie et l'Environnement

Document type :

Journal articles

Domain :

Chemical Sciences

Chemical Sciences / Cheminformatics

Chemical Sciences / Theoretical and/or physical chemistry

Computer Science [cs] / Computational Geometry [cs.CG]

Complete list of metadatas

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

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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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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