Effect of the Al Siting on the Structure of Co(II) and Cu(II) Cationic Sites in Ferrierite. A Periodic DFT Molecular Dynamics and FTIR Study

Sklenák, Š., Andrikopoulos, P. C., Whittleton, S. R., Jirglová, H., Sazama, P., Benco, L., Bucko, T., Hafner, J., Sobalík, Z. Effect of the Al Siting on the Structure of Co(II) and Cu(II) Cationic Sites in Ferrierite. A Periodic DFT Molecular Dynamics and FTIR Study. Journal of Physical Chemistry C. 2013, 117(8), 3958-3968. ISSN 1932-7447. E-ISSN 1932-7455. Available: doi: 10.1021/jp310236d