Time-dependent density functional theory study of Fe2(CO) 9 low-lying electronic excited states

Journal of Physical Chemistry A

Volumn 110, Issue 47, 2006, Pages 12900-12907

  Bertini, Luca ^a   Greco, Claudio ^a   De Gioia, Luca ^a   Fantucci, Piercarlo ^a  

^a UNIVERSITY OF MILANO BICOCCA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

EXCITED STATES; TIME-DEPENDENT DENSITY FUNCTIONAL THEORY (TDDFT);

DISSOCIATION; ELECTRONIC STRUCTURE; OPTIMIZATION; PHOTOCHEMICAL REACTIONS; PROBABILITY DENSITY FUNCTION;

IRON COMPOUNDS;

IRON DERIVATIVE; NONACARBONYL DIIRON; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; ELECTRON; PHOTOCHEMISTRY; QUANTUM THEORY; TIME;

ELECTRONS; IRON COMPOUNDS; MODELS, CHEMICAL; MOLECULAR STRUCTURE; PHOTOCHEMISTRY; QUANTUM THEORY; TIME FACTORS;

EID: 33846044074     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0646022     Document Type: Article

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