Adsorbate-induced changes in magnetic interactions in Fe₂(dobdc) with adsorbed hydrocarbon molecules

Pragya Verma (1) , Rémi Maurice (1, 2) , D.G. Truhlar (1)

1 Department of Chemistry, Chemical Theory Center, Nanoporous Materials Genonme Center, and Minnesota Supercomputing Institute
2 SUBATECH - Laboratoire SUBATECH Nantes

Domaines: Chimie théorique et/ou physique

Pragya Verma, Rémi Maurice, D.G. Truhlar. Adsorbate-induced changes in magnetic interactions in Fe₂(dobdc) with adsorbed hydrocarbon molecules. Journal of Physical Chemistry C, 2016, 120, pp.9933-9948. ⟨10.1021/acs.jpcc.6b03240⟩. ⟨in2p3-01323355⟩