Friday, August 22, 2014

Predictions of the Spin Configuration in Mn12 Molecular Magnets Made Accurate with the Help of Hubbard U on the Ligand Atoms

TOC Graphic


The Journal of Physical Chemistry C

DOI: 10.1021/jp504762g




Shruba Gangopadhyay, Artëm E. Masunov and Svetlana Kilina

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