Article
The resonance Raman spectra of spheroidene revisited with a first-principles approach.
Chemphyschem : a European journal of chemical physics and physical chemistry - 9 Dec 2011
Boereboom Jelle M, van Hemert Marc C, Neugebauer Johannes
Abstract excerpt
The resonance Raman (RR) spectra of different configurations of spheroidene are calculated by means of quantum chemical methods to investigate the nature of the cis configuration of this carotenoid molecule in the photosynthetic reaction center (RC) of the purple bacterium Rhodobacter sphaeroides. For validation of our methodology, we also calculate the spectrum of the all-trans structure present in the...
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