Assignment of absolute configurations of chiral phospholene oxides by UV/CD spectroscopy using TD-DFT quantum chemical calculations and singular value decomposition approach for the analysis of the spectra

Journal of Molecular Structure: THEOCHEM

Volumn 906, Issue 1-3, 2009, Pages 94-99

  Mayer, Zsuzsa A ^a   Kállay, Mihály ^a   Kubinyi, Miklós ^a,b   Keglevich, György ^a   Ujj, Viktória ^a   Fogassy, Elemér ^a  

^a BUDAPEST UNIVERSITY OF TECHNOLOGY AND ECONOMICS   (Hungary)

^b CHEMICAL RESEARCH CENTER   (Hungary)

Author keywords

Absolute configuration; Chiral phosphorous compounds; Conformational analysis; DFT calculations; Simulation of CD spectra; SVD method

Indexed keywords

EID: 84961980451     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2009.04.004     Document Type: Article

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