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- W127444987 abstract "In this contribution, we highlight the potential of atomically resolved models to address the problem of ground-state charge transfer reactions in biological systems like (i) DNA or (ii) proteins that incorporate transition metal complexes as model cofactors. We describe an extended version of the Su–Schrieffer–Heeger Hamiltonian as an atomistic model and the procedures that enable its efficient numerical solution. As applications, we present the computation of charge transfer rates within DNA oligomers, complex DNA arrangements like bulges or three-way junctions, and in model proteins. The results are compared with experimental findings and phenomenological concepts of biological charge transfer." @default.
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- W127444987 date "2006-01-01" @default.
- W127444987 modified "2023-09-26" @default.
- W127444987 title "Atomistic models of biological charge transfer" @default.
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- W127444987 doi "https://doi.org/10.1016/b978-044452220-7/50087-3" @default.
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