Strong anisotropy barriers of two theoretically modeled cyano-bridged magnets [(PY5Me2)4M4Re(CN)7] (M = V, Ni): DFT predictions期刊界 All Journals 搜尽天下杂志传播学术成果专业期刊搜索期刊信息化学术搜索

Strong anisotropy barriers of two theoretically modeled cyano-bridged magnets [(PY5Me₂)₄M₄Re(CN)₇] (M = V, Ni): DFT predictions

Authors:	Yi-Quan Zhang Cheng-Lin Luo

Affiliation:	School of Physical Science and Technology, Nanjing Normal University, Nanjing 210046, China

Abstract:	On the basis of the experimentally synthesized [(PY5Me₂)₄Mn₄Re(CN)₇]⁵⁺, the theoretically modeled clusters of [(PY5Me₂)₄V₄Re(CN)₇]⁵⁺ and [(PY5Me₂)₄Ni₄Re(CN)₇]⁵⁺ both have strong magnetic anisotropy energy barriers.

Keywords:	Single-molecule studies Density functional calculations Magnetic anisotropy Exchange coupling Zero-field splitting
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