Conformational analysis of quinone anion radicals in photosystem II and photosynthetic bacteria

• Using density functional theory (DFT) techniques, we have investigated possible conformers of the radical anions of plastoquinone (psQ), ubiquinone (ubQ), and menaquinone (mnQ), which are formed in the reaction centers of photosynthetic bacteria, blue-gre

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DENSITY-FUNCTIONAL THEORY; ELECTRON-SPIN-RESONANCE; REACTION CENTERS; RHODOBACTER-SPHAEROIDES; HYPERFINE COUPLINGS; PRIMARY ACCEPTOR; HARTREE-FOCK; BINDING-SITE; AB-INITIO; UBISEMIQUINONE

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