Journal
CHEMICAL PHYSICS LETTERS
Volume 374, Issue 5-6, Pages 496-500Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/S0009-2614(03)00735-8
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We have studied the electron affinities and ionization potentials for models of DNA. We conclude that removing an electron is most favorable on the PO(4)(-) groups; whereas, addition of an electron is most favorable on a nucleic acid. The computed electron affinities are 1.9, 4.8, 5.7, and 7.9 kcal/mol for adenine, cytosine, guanine, and thymine, respectively. Our best estimate of the IP for hydrated DNA is 4.5 eV and for hydrated DNA plus Na(+) counter ions is 5.6 eV. (C) 2003 Elsevier Science B.V. All rights reserved.
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