Ground and excited states of singlet, cation doublet, and anion doublet states of o-benzoquinone: A theoretical study

Journal of Physical Chemistry A

Volumn 111, Issue 13, 2007, Pages 2634-2639

  Honda, Yasushi ^a,b   Hada, Masahiko ^a,b   Ehara, Masahiro ^c   Nakatsuji, Hiroshi ^c  

^a TOKYO METROPOLITAN UNIVERSITY   (Japan)

^b JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

^c KYOTO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATION THEORY; ELECTRON AFFINITY; ERROR ANALYSIS; GROUND STATE; NEGATIVE IONS; POSITIVE IONS;

DOUBLET STATES; KOOPMAN THEOREM; TRANSITION ENERGIES;

KETONES;

EID: 34247522314     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0686487     Document Type: Article

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