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Electron affinities and ionization potentials of nucleotide bases
Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Quantum Chemistry.
2000 (English)In: CHEMICAL PHYSICS LETTERS, ISSN 0009-2614, Vol. 322, no 1-2, 129-135 p.Article in journal (Refereed) Published
Abstract [en]

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

Place, publisher, year, edition, pages
ELSEVIER SCIENCE BV , 2000. Vol. 322, no 1-2, 129-135 p.
Keyword [en]
THEORETICAL AB-INITIO; MOLECULAR-ORBITAL CALCULATIONS; RADICAL IONS; REDUCTION POTENTIALS; ORGANIC-MOLECULES; RADIATION-DAMAGE; DNA BASES; ADENINE; GUANINE; URACIL
Identifiers
URN: urn:nbn:se:uu:diva-36878OAI: oai:DiVA.org:uu-36878DiVA: diva2:64777
Note
Addresses: Boyd RJ, Dalhousie Univ, Dept Chem, Halifax, NS B3H 4J3, Canada. Dalhousie Univ, Dept Chem, Halifax, NS B3H 4J3, Canada. Univ Uppsala, Dept Quantum Chem, S-75120 Uppsala, Sweden.Available from: 2008-10-17 Created: 2008-10-17 Last updated: 2011-01-14

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