21507.rar «FAST × Summary»
for radical cation migration within DNA trimers. Vertical and adiabatic ionization potentials of base pairs. Rate constants ( KHTcap K sub cap H cap T end-sub ) for hole transfer in various DNA sequences. Hirshfeld charge and spin distribution data.
: It is most useful for bioinformaticians and molecular biologists looking to replicate the study's ONIOM strategy or Marcus theory calculations. Technical Summary Associated Paper 21507.rar
The provided file appears to be a supplementary data package associated with the scientific study "Clustered DNA Damage: Electronic Properties and Their Influence on DNA Repair" published in the journal Cells . for radical cation migration within DNA trimers
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