Time-dependent density functional calculations of optical rotatory dispersion including resonance wavelengths as a potentially useful tool for determining absolute configurations of chiral molecules

Journal of Physical Chemistry A

Volumn 110, Issue 7, 2006, Pages 2461-2473

  Autschbach, Jochen ^a   Jensen, Lasse ^b   Schatz, George C ^b   Tse, Y C Electra ^a   Krykunov, Mykhaylo ^a  

^a UNIVERSITY AT BUFFALO   (United States)

^b NORTHWESTERN UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL; OPTICAL ROTATORY DISPERSION;

DAMPING; ORGANIC COMPOUNDS; PARAMETER ESTIMATION; RESONANCE; TRANSITION METAL COMPOUNDS;

DISPERSIONS;

EID: 33644916116     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp054847z     Document Type: Article

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