Density functional study of intramolecular ferromagnetic interaction through m-phenylene coupling unit (I): UBLYP, UB3LYP, and UHF calculations

Journal of Chemical Physics

Volumn 113, Issue 10, 2000, Pages 4035-4051

  Mitani, Masaki ^a   Mori, Hiroki ^a   Takano, Yu ^a   Yamaki, Daisuke ^a   Yoshioka, Yasunori ^a   Yamaguchi, Kizashi ^a  

^a OSAKA UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ADDITION REACTIONS; ANTIFERROMAGNETISM; BENZENE; CHEMICAL BONDS; COMPOSITION EFFECTS; DOPING (ADDITIVES); ENERGY GAP; GROUND STATE; MACROMOLECULES; POLARIZATION; REACTION KINETICS;

ATOMIC ORBITALS; SPIN DENDRIMERS;

FERROMAGNETIC MATERIALS;

EID: 0034622732     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1286418     Document Type: Article

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