A DFT study on the magnetostructural property of ferromagnetic heteroverdazyl diradicals with phenylene coupler

Journal of Physical Chemistry A

Volumn 114, Issue 43, 2010, Pages 11833-11841

  Bhattacharya, Debojit ^a   Shil, Suranjan ^a   Panda, Anirban ^b   Misra, Anirban ^a  

^a UNIVERSITY OF NORTH BENGAL   (India)

^b Jagannath Kishore College   (India)

Author keywords

[No Author keywords available]

Indexed keywords

AROMATIC BEHAVIOR; AROMATICITIES; AROMATICITY INDICES; BENZENE RING; BROKEN-SYMMETRY APPROACH; DFT STUDY; DIHEDRAL ANGLES; DIRADICAL SYSTEMS; DIRADICALS; EXCHANGE COUPLING CONSTANTS; GEOMETRICAL INDICES; HARMONIC OSCILLATOR MODEL OF AROMATICITY; J VALUE; MAGNETIC EXCHANGE COUPLING; MAGNETIC ORBITALS; NUCLEUS INDEPENDENT CHEMICAL SHIFTS; P-PHENYLENE; PLANARITY; POSITIONAL ISOMERS; STATE STABILITY;

AROMATIC COMPOUNDS; BENZENE; DENSITY FUNCTIONAL THEORY; EXCHANGE COUPLING; ISOMERS; MAGNETIC LEAKAGE; OSCILLATORS (ELECTRONIC); OSCILLATORS (MECHANICAL); SPIN DYNAMICS;

AROMATIZATION;

BENZENE DERIVATIVE; FREE RADICAL;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; MAGNETISM; QUANTUM THEORY;

BENZENE DERIVATIVES; FREE RADICALS; MAGNETICS; MOLECULAR STRUCTURE; QUANTUM THEORY;

EID: 78049494014     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp1072507     Document Type: Article

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