Tuning spin-state preference by substituents: A case study of thianthrene dication

Journal of Physical Chemistry A

Volumn 106, Issue 37, 2002, Pages 8716-8720

  Ito, Akihiro ^a   Ino, Haruhiro ^a   Ichiki, Hidehisa ^a   Tanaka, Kazuyoshi ^a  

^a KYOTO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

MOLECULAR ORBITALS;

ELECTRONIC STRUCTURE; ENERGY GAP; GROUND STATE; MOLECULES; PROBABILITY DENSITY FUNCTION; X RAY ANALYSIS;

AROMATIC HYDROCARBONS;

EID: 0037136780     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0155967     Document Type: Article

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