Funding text :
This work was supported by the University of Montpellier and
the CNRS. We are grateful to the Labex “CheMISysT” program
(ANR-10-LABX-05-01) for financial support of Dr. M. R.-C. The
HINT COST action MP1202 is acknowledged for support. The
periodic DFT calculations were performed using HPC resources
from GENCI (CCRT/CINES/IDRIS) (Grant 2013-(x2013082022))
and the CCRE of Universit Pierre et Marie Curie. Dr. B. Diawara
from ENS Paris is kindly acknowledged for providing us with
ModelView used in the visualization of the structures. G.L.
thanks IDS FUNMAT for a PhD fellowship. G.L. and F.R. gratefully
acknowledge access to the computational resources of CECI
(Consortium des Equipements de Calcul Intensif). F.R. thanks Fonds National de la Recherche Scientifique (Belgium) for its
support.
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