Metal Organic Frameworks

Structure prediction and support of Xray crystallography
Electronic and magnetic properties of MOFs

Selected publications on the topic

M. I. H. Mohideen C. Lei J. Tuček O. Malina F. Brivio V. Kasneryk Z. Huang M. Mazur et al.
Magneto-structural correlations of novel kagomé-type metal organic frameworks

Journal of Materials Chemistry C, 7(22), 2019

DOI, BibTeX

L. Grajciar, P. Nachtigall, O. Bludský, and M. Rubeš,
Accurate Ab Initio Description of Adsorption on Coordinatively Unsaturated Cu2\mathplus and Fe3\mathplus Sites in MOFs

Journal of Chemical Theory and Computation, 11(1), 2014

DOI, BibTeX