“Energy level structure and electron – phonon coupling in the light – harvesting complex II”
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چکیده
4 List of abbreviations 5
منابع مشابه
Electron-Phonon Coupling and Vibronic Fine Structure of Light-Harvesting Complex II of Green Plants: Temperature Dependent Absorption and High-Resolution Fluorescence Spectroscopy
Polarized, site-selected fluorescence was measured for light-harvesting complex II (LHCII), the major Chl a/b/xanthophyll binding light-harvesting complex of green plants. Upon selective excitation in the range of 679-682 nm at 4 K, separate zero-phonon lines and phonon wings could be observed, as well as sharp lines in the vibronic region of the emission: vibronic zero-phonon lines. The maximu...
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To calculation non-bonded interaction of the [CoCl6]3- complex embedded in nano ring, we focus on the single wall boron-nitride B18N18 nano ring. Thus, the geometry of B18N18 nano ring has been optimized by B3LYP method with EPR-II (Electron paramagnetic resonance) basis set and geometry of the [CoCl6]3- complex has been optimized at B3LYP method with Aldrich’s VTZ basis set and Stuttgart RSC 1...
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Ground state geometries have been computed using Density Functional Theory (DFT) at B3LYP/6-31G(d,p) level of theory. The excitation energies and spectroscopic parameters have been computed using Long range Corrected (LC) hybrid functional by Time Dependent Density Functional Theory (TDDFT) with LC-BLYP level of theory. The Polarizable Continuum Model (PC...
متن کاملTheory of femtosecond coherent double-pump single-molecule spectroscopy: Application to light harvesting complexes.
We develop a first principles theoretical description of femtosecond double-pump single-molecule signals of molecular aggregates. We incorporate all singly excited electronic states and vibrational modes with significant exciton-phonon coupling into a system Hamiltonian and treat the ensuing system dynamics within the Davydov D1 Ansatz. The remaining intra- and inter-molecular vibrational modes...
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تاریخ انتشار 2014