A multi state-CASPT2 vs. TD-DFT study of the electronic excited states of RCo(CO)4 (R = H, CH3) organometallic complexes

Chemical Physics Letters

Volumn 417, Issue 4-6, 2006, Pages 545-549

  Ambrosek, David ^a   Villaume, Sébastien ^b   González, Leticia ^a   Daniel, Chantal ^b  

^a FREIE UNIVERSITÄT BERLIN   (Germany)

^b UNIVERSITÉ DE STRASBOURG   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION; CHARGE TRANSFER; COMPLEXATION; ELECTRIC EXCITATION; INTERCALATION COMPOUNDS;

ELECTRONIC EXCITED STATES; METAL-TO-SIGMA-BOND-CHARGE-TRANSFER (MSBCT); ORGANOMETALLIC COMPLEXES;

ORGANOMETALLICS;

EID: 29444442266     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2005.10.056     Document Type: Article

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