Role of π-conjugation in influencing the magnetic interactions in dinitrenes: A broken-symmetry approach

Journal of Physical Chemistry A

Volumn 114, Issue 1, 2010, Pages 93-96

  Ghosh, Rikhia ^a   Seal, Prasenjit ^a   Chakrabarti, Swapan ^a  

^a UNIVERSITY OF CALCUTTA   (India)

Author keywords

[No Author keywords available]

Indexed keywords

ANTIFERRO-MAGNETIC INTERACTIONS; ANTIFERROMAGNETICS; BASIS SETS; BROKEN SYMMETRY; BROKEN-SYMMETRY APPROACH; CONJUGATED SYSTEMS; DENSITY FUNCTIONALS; MAGNETIC CHARACTER; MAGNETIC COUPLING PARAMETERS; MAGNETIC INTERACTIONS; NATURE OF MAGNETIC INTERACTIONS; RELATIVE STABILITIES; SINGLET STATE; SINGLET-TRIPLET ENERGY GAP; SPACER LENGTHS; TRIPLET STATE;

ANTIFERROMAGNETIC MATERIALS; ANTIFERROMAGNETISM; MAGNETIC COUPLINGS; ORGANIC POLYMERS;

SYNTHETIC METALS;

FREE RADICAL; QUINONE DERIVATIVE;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; MAGNETISM;

COMPUTER SIMULATION; FREE RADICALS; MAGNETICS; MODELS, CHEMICAL; QUINONES;

EID: 75249090820     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp905077s     Document Type: Article

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