Accurate Hyperfine Coupling Calculations of Radiation Induced DNA Constituent Radicals Using Density Functional Theory.
Previous density functional theory (DFT) calculations of hyperfine coupling constants (HFCC) on single nucleic acid base radicals agree well with the EPR/ENDOR experiments’ values on radiation induced nucleic acid constituents radicals, except for four problem cases,1 namely the N1-deprotonated cyto...
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Digital Commons @ East Tennessee State University
2013
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| Online Access: | https://dc.etsu.edu/honors/59 https://dc.etsu.edu/cgi/viewcontent.cgi?article=1063&context=honors |