Theoretical studies on {3d-Gd} and {3d-Gd-3d} complexes: Effect of metal substitution on the effective exchange interaction

Polyhedron

Volumn 66, Issue , 2013, Pages 81-86

  Singh, Saurabh Kumar ^a   Rajeshkumar, Thayalan ^a   Chandrasekhar, Vadapalli ^b,c   Rajaraman, Gopalan ^a  

^a INDIAN INSTITUTE OF TECHNOLOGY BOMBAY   (India)

^b INDIAN INSTITUTE OF TECHNOLOGY KANPUR   (India)

^c TATA INSTITUTE OF FUNDAMENTAL RESEARCH   (India)

Author keywords

1,2 Interactions; 1,3 Interaction; DFT calculations; MCE; Molecular coolant; Nearest neighbor interaction; SMMs

Indexed keywords

COMPLEXATION; COOLANTS; DENSITY FUNCTIONAL THEORY; LIGANDS; MAGNETIC COUPLINGS; TRANSITION METALS;

1,2-INTERACTION; 1,3-INTERACTION; DFT CALCULATION; MCE; METAL SUBSTITUTION; MOLECULAR COOLANT; NEAREST-NEIGHBOR INTERACTIONS; ORBITALS; SMM; THEORETICAL STUDY;

ANISOTROPY;

EID: 84887464530     PISSN: 02775387     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.poly.2013.02.037     Document Type: Article

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