Computational investigation of the Jahn-Teller effect in the ground and excited electronic states of the tropyl radical. Part I. Theoretical calculation of spectroscopically observable parameters

Journal of Chemical Physics

Volumn 128, Issue 8, 2008, Pages

  Stakhursky, Vadim L ^a   Sioutis, Ilias ^a   Tarczay, György ^a,b   Miller, Terry A ^a  

^a OHIO STATE UNIVERSITY   (United States)

^b EÖTVÖS LORÁND UNIVERSITY   (Hungary)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; EXCITED STATES; FREE RADICALS; GROUND STATE; POTENTIAL ENERGY; VIBRATIONAL SPECTRA;

CYCLOHEPTATRIENYL; ELECTRONIC SPECTRUM; JAHN-TELLER EFFECT;

MOLECULAR DYNAMICS;

EID: 40149100646     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2829437     Document Type: Article

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