Understanding the magnetic anisotropy in a family of N2 3- radical-bridged lanthanide complexes: Density functional theory and ab initio calculations

Journal of Physical Chemistry A

Volumn 117, Issue 42, 2013, Pages 10873-10880

  Zhang, Yi Quan ^a,b   Luo, Cheng Lin ^b   Wang, Bing Wu ^a   Gao, Song ^a  

^a PEKING UNIVERSITY   (China)

^b NANJING NORMAL UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ANTIFERROMAGNETISM; CALCULATIONS; ENERGY BARRIERS; EXCHANGE COUPLING; ION EXCHANGE; IONS; MAGNETIC ANISOTROPY; RARE EARTH ELEMENTS;

AB INITIO CALCULATIONS; ANTIFERROMAGNETIC COUPLING; ANTIFERROMAGNETICS; INTRAMOLECULAR EXCHANGE; LANTHANIDE COMPLEX; MAGNETIC ORBITALS; SINGLE ION ANISOTROPY; SINGLE-MOLECULE MAGNET;

DENSITY FUNCTIONAL THEORY;

EID: 84886637821     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp4044495     Document Type: Article

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