title: On the origin of magnetic anisotropy in cyanide-bridged Co(9)M(6) (M = Mo(V) or W(V)) systems: a DFT study.
abstract: Our calculations show that the substitution of metal ions using Co(II) is not the main reason that Co(II)(9)M(6) (M = Mo(V) or W(V)) exhibits single-molecule-magnet behavior, whereas the unsymmetrical distribution of three CH(3)OH ligands surrounding each Co(II) is the main one.
authors.affiliation: School of Physical Science and Technology, Nanjing Normal University, Nanjing 210046, China. zhangyiquan@njnu.edu.cn
authors.forename: Yi-Quan
authors.initials: YQ
authors.lastname: Zhang
authors.forename: Cheng-Lin
authors.initials: CL
authors.lastname: Luo