Spectroscopic properties of [Pt 2(μ-P 2O 5H 2) 4]: 4- a time-dependent density functional theory and conductor-like polarizable continuum model investigation

Journal of Physical Chemistry B

Volumn 108, Issue 32, 2004, Pages 12175-12180

  Stoyanov, Stanislav R ^a   Villegas, John M ^a   Rillema, D Paul ^a  

^a WICHITA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION ENERGY; DENSITY FUNCTIONAL THEORY (DFT); PHOSPHORESCENCE EMISSION ENERGY; SINGLET GROUND-STATE (SGS);

ABSORPTION; CARRIER CONCENTRATION; CHEMICAL BONDS; COMPLEXATION; COMPUTATIONAL METHODS; CONTINUUM MECHANICS; GROUND STATE; MATHEMATICAL MODELS; PHOSPHORESCENCE; POLARIZATION; PROBLEM SOLVING;

PLATINUM COMPOUNDS;

EID: 4344611619     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp048360m     Document Type: Article

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45. -4 for f, and a more precise value cannot be determined.