The electronic excited states of a model organic endoperoxide: A comparison of TD-DFT and ab initio methods

Chemical Physics Letters

Volumn 446, Issue 4-6, 2007, Pages 262-267

  Corral, Inés ^a   González, Leticia ^a  

^a FREIE UNIVERSITÄT BERLIN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION; APPROXIMATION THEORY; CLUSTER ANALYSIS; DENSITY FUNCTIONAL THEORY; EMISSION SPECTROSCOPY; EXCITED STATES; OPTIMIZATION; PERTURBATION TECHNIQUES;

ABSORBING EXCITED STATES; METHODS PREDICT; OPTIMIZED GEOMETRIES; ORGANIC ENDOPEROXIDE;

ORGANIC COMPOUNDS;

EID: 34548862045     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2007.08.067     Document Type: Article

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