Time-dependent density functional theory description of on-site electron repulsion and ligand field effects in the optical spectrum of hexaaquoruthenium(II) in solution

Journal of Physical Chemistry B

Volumn 109, Issue 24, 2005, Pages 12222-12226

  Bernasconi, Leonardo ^a   Sprik, Michiel ^a  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION; CHELATION; ELECTRONIC STRUCTURE; MOLECULAR DYNAMICS; OPTICAL PROPERTIES; SOLUTIONS; SOLVENTS; TEMPERATURE DISTRIBUTION; TRANSITION METALS;

DENSITY FUNCTIONAL THEORY (DFT); ELECTRON REPULSION; LIGANDS; SOLVATION;

RUTHENIUM COMPOUNDS;

EID: 22444433593     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0503718     Document Type: Article

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