Assessment of PBEO for evaluating the absorption spectra of carbonyl molecules

International Journal of Quantum Chemistry

Volumn 106, Issue 8, 2006, Pages 1853-1859

  Wathelet, Valérie ^a   Preat, Julien ^a   Bouhy, Michaël ^a   Fontaine, Michèle ^a   Perpète, Eric A ^a   André, Jean Marie ^a   Jacquemin, Denis ^a  

^a UNIVERSITY OF NAMUR   (Belgium)

Author keywords

Absorption spectra; Carbonyls; PBEO; TD DFT; Woodward Fieser rules

Indexed keywords

ABSORPTION; CARBONYLATION; NUMERICAL ANALYSIS; PARAMETER ESTIMATION; STATISTICAL MECHANICS; SYNTHESIS (CHEMICAL);

ABSORPTION SPECTRA; CARBONYLS; PBEO; TD-DFT; WOODWARD-FIESER RULES;

ORGANIC POLYMERS;

EID: 33646253679     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.20982     Document Type: Article

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