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    ARTICLE

    Component spectroscopic properties of light-harvesting complexes with DFT calculations

    SHYAM BADU1, SANJAY PRABHAKAR1,2, RODERICK MELNIK1,3,*

    BIOCELL, Vol.44, No.3, pp. 279-291, 2020, DOI:10.32604/biocell.2020.010916

    Abstract Photosynthesis is a fundamental process in biosciences and biotechnology that influences profoundly the research in other disciplines. In this paper, we focus on the characterization of fundamental components, present in pigment-protein complexes, in terms of their spectroscopic properties such as infrared spectra, nuclear magnetic resonance, as well as nuclear quadrupole resonance, which are of critical importance for many applications. Such components include chlorophylls and bacteriochlorophylls. Based on the density functional theory method, we calculate the main spectroscopic characteristics of these components for the Fenna-Matthews-Olson light-harvesting complex, analyze them and compare them with available experimental results. Future outlook is discussed in… More >

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