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- Wetmore, SDUppsala universitet,Institutionen för naturvetenskaplig biokemi (author)
A theoretical study of 5-halouracils: electron affinities, ionization potentials and dissociation of the related anions
- Article/chapterEnglish2001
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- ELSEVIER SCIENCE BV,2001
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- LIBRIS-ID:oai:DiVA.org:uu-38044
- https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-38044URI
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- Language:English
- Summary in:English
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- Addresses: Boyd RJ, Dalhousie Univ, Dept Chem, Halifax, NS B3H 4J3, Canada. Dalhousie Univ, Dept Chem, Halifax, NS B3H 4J3, Canada. Univ Uppsala, Dept Biochem, S-75123 Uppsala, Sweden.
- The gas phase and solution electron affinities and ionization potentials of uracil, thymine and a series of 5-halouracils (5XU, X = F, Cl, Br) are investigated with B3LYP. Halogen substitution has a smaller effect on the IP than the EA of U. The EAs are c
Subject headings and genre
- POLARIZABLE CONTINUUM MODEL; DNA; THYMINE; BASES; ENERGIES; URACIL; RNA
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- Boyd, RJ (author)
- Eriksson, LA (author)
- Uppsala universitetInstitutionen för naturvetenskaplig biokemi (creator_code:org_t)
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- In:CHEMICAL PHYSICS LETTERS: ELSEVIER SCIENCE BV343:1-2, s. 151-1580009-2614
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