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physics.chem-ph2025
Time-dependent DFT-based study of bacteriochlorophyll a optical properties within the B800 part of Rhodoblastus acidophilus light-harvesting complex
Evgenia A. Kovaleva, Lyudmila V. Begunovich, Maxim M. Korshunov
We use time-dependent density functional theory-based approaches, TD-DFT and TD-DFTB, to investigate the optical absorption of B800 part of Rhodoblastus acidophilus light-harvestin…
physics.chem-ph2023★ 2 cited
Absorption spectra of the purple nonsulfur bacteria light-harvesting complex: a DFT study of the B800 part
L. V. Begunovich, E. A. Kovaleva, M. M. Korshunov +1
We've studied the B800 part of Rhodoblastus acidophilus light-harvesting complex (LH2) by several quantum chemical techniques based on the density functional theory (DFT) and deter…