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- Wetmore, SD, et al.
(författare)
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Electron affinities and ionization potentials of nucleotide bases
- 2000
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Ingår i: CHEMICAL PHYSICS LETTERS. - : ELSEVIER SCIENCE BV. - 0009-2614. ; 322:1-2, s. 129-135
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Tidskriftsartikel (refereegranskat)abstract
- Density-functional theory (B3LYP functional) is used to investigate the ionization potentials and electron affinities of the DNA and RNA nucleotide bases. For the first time, anions lying lower in energy than the neutral species have been calculated for b
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- Wetmore, SD, et al.
(författare)
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Theoretical investigation of adenine radicals generated in irradiated DNA components
- 1998
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Ingår i: JOURNAL OF PHYSICAL CHEMISTRY B. - 1089-5647. ; 102:51, s. 10602-10614
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Tidskriftsartikel (övrigt vetenskapligt/konstnärligt)abstract
- Density functional theory is used to investigate various hydrogenated, dehydrogenated, and hydroxylated radicals formed upon irradiation of adenine. The relative energies, geometries, and hyperfine coupling constants of possible radicals are discussed. Th
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