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List of works by Guillaume Fraux

Ab Initio Derived Force Fields for Zeolitic Imidazolate Frameworks: MOF-FF for ZIFs

scientific article published on 29 March 2019

Chemiscope: interactive structure-property explorer for materials and molecules

scientific article published on 01 July 2020

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

scientific article published on April 2017

Forced intrusion of water and aqueous solutions in microporous materials: from fundamental thermodynamics to energy storage devices

scientific article published on 20 October 2017

Modelling of framework materials at multiple scales: current practices and open questions

scientific article published on 01 July 2019

Note: Heterogeneous ice nucleation on silver-iodide-like surfaces ⬇️

scientific article published on 01 December 2014

Recent advances in the computational chemistry of soft porous crystals.

scientific article published in June 2017

Structure and Dynamics of Water Confined in Imogolite Nanotubes

scientific article published on 31 May 2018

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