Ab initio MO study of m-phenylenediamine and 2,4-diamino-1,3,5-triazine dication diradicals

Synthetic Metals

Volumn 85, Issue 1-3, 1997, Pages 1777-1778

  Ito, Akihiro ^a   Miyajima, Hiroki ^a   Yoshizawa, Kazunari ^a   Tanaka, Kazuyoshi ^a   Yamabe, Tokio ^a,b  

^a KYOTO UNIVERSITY   (Japan)

^b INSTITUTE FOR FUNDAMENTAL CHEMISTRY   (Japan)

Author keywords

Ab initio molecular orbital method; Arylamine; Electron correlation; High spin molecule

Indexed keywords

AMINES; ELECTRONIC STRUCTURE; FERROMAGNETIC MATERIALS; MOLECULES;

ARYLAMINE; ELECTRON CORRELATION; HIGH SPIN MOLECULES; MOLECULAR ORBITAL METHOD;

ORGANIC POLYMERS;

EID: 0031074423     PISSN: 03796779     EISSN: None     Source Type: Journal    
DOI: 10.1016/s0379-6779(97)80433-x     Document Type: Article

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