Ab initio molecular dynamics simulation of the UV absorption spectrum of β-ionone

Journal of Molecular Structure: THEOCHEM

Volumn 771, Issue 1-3, 2006, Pages 43-50

  Raynaud, Christophe ^a   Poteau, Romuald ^a   Maron, Laurent ^a   Jolibois, Franck ^a  

^a CNRS   (France)

Author keywords

Ionone; Molecular dynamics; TDDFT

Indexed keywords

EID: 84962361675     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2006.03.038     Document Type: Article

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