Water and Ethanol in Ferrierite at High Pressure - supporting data

Supporting data for article:
"Irreversible Conversion of a Water–Ethanol Solution into an Organized Two-Dimensional Network of Alternating Supramolecular Units in a Hydrophobic Zeolite under Pressure"
published in:
Angewandte Chemie
DOI: 10.1002/anie.201610949 and 10.1002/ange.201610949

1) pdb file with the coordinates of the calculated optimized structure of Si-FER(4EtOH)(8H2O) at P=0.84 GPa
2) pdb file of the calculated optimized structure of Si-FER(4EtOH)(8H2O) at P=Pamb(rev)
3) supporting information pdf file containing:
    - description of the experimental procedure and further experimental results
    - description of the computational procedure
    - Computational data on the first-principles molecular dynamics simulations
    - discussion of the results and perspectives

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