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Physical Chemistry Chemical Physics : PCCP|December 15, 2016
A hybrid method using the widely-used WIEN2k and VASP codes to calculate the complete set of XAS/EELS edges in a hundred-atoms systemGaël Donval, Philippe Moreau, Julien Danet, et al.Journal of Materials Chemistry. A|December 7, 2023
Identifying pathways to metal-organic framework collapse during solvent activation with molecular simulationsJoseph R H Manning, Gaël Donval, Mat Tolladay, et al.Pageof 1