Electronic structure of the trimethylenemethane diradical in its ground and electronically excited states: Bonding, equilibrium geometries, and vibrational frequencies

Journal of Chemical Physics

Volumn 118, Issue 15, 2003, Pages 6874-6883

  Slipchenko, Lyudmila V ^a   Krylov, Anna I ^a  

^a UNIVERSITY OF SOUTHERN CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; CALCULATIONS; CHEMICAL BONDS; COMPUTATIONAL METHODS; ELECTRONIC DENSITY OF STATES; ELECTRONIC STRUCTURE; ELECTRONS; ETHYLENE; FREE RADICALS; GROUND STATE; MOLECULAR VIBRATIONS; WAVE EQUATIONS;

COUPLED-CLUSTER BOND; MOLECULAR ORBITAL PICTURE; SPIN-FLIP ELECTRONIC STRUCTURE; TRIMETHYLENEMETHANE DIRADICAL; WAVE FUNCTION ANALYSIS;

METHANE;

EID: 0037623374     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1561052     Document Type: Article

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