A generalized MO (GMO) approach to unstable molecules with quasi-degenerate electronic states: ab initio GMO calculations of intramolecular effective exchange integrals and designing of organic magnetic polymers

Synthetic Metals

Volumn 19, Issue 1-3, 1987, Pages 81-86

  Yamaguchi, Kizashi ^a   Toyoda, Yasuyuki ^a   Fueno, Takayuki ^a  

^a OSAKA UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

MOLECULES - STABILITY; ORGANIC COMPOUNDS - PHYSICAL PROPERTIES; POLYMERS - PHYSICAL PROPERTIES;

CONDUCTING POLYMERS; EFFECTIVE EXCHANGE INTEGRALS; INTRAMOLECULAR EFFECTIVE EXCHANGE INTEGRALS; ORGANIC MAGNETIC POLYMERS; SYNTHETIC METALS;

MAGNETIC MATERIALS;

EID: 0022685905     PISSN: 03796779     EISSN: None     Source Type: Journal    
DOI: 10.1016/0379-6779(87)90335-3     Document Type: Article

References (10)

1. Molecular orbital (MO) theory for magnetically interacting organic compounds. Ab-initio MO calculations of the effective exchange integrals for cyclophane-type carbene dimers.
2. Semiempirical molecular orbital (MO) calculations of the effective exchange integrals for sandwich dimers of free radical species. Anti- and ferromagnetic spin couplings of organic free radicals.