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A theoretical study of 5-halouracils: electron affinities, ionization potentials and dissociation of the related anions

Wetmore, SD (author)
Uppsala universitet,Institutionen för naturvetenskaplig biokemi
Boyd, RJ (author)
Eriksson, LA (author)
 (creator_code:org_t)
ELSEVIER SCIENCE BV, 2001
2001
English.
In: CHEMICAL PHYSICS LETTERS. - : ELSEVIER SCIENCE BV. - 0009-2614. ; 343:1-2, s. 151-158
  • Journal article (peer-reviewed)
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  • 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

Keyword

POLARIZABLE CONTINUUM MODEL; DNA; THYMINE; BASES; ENERGIES; URACIL; RNA

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Boyd, RJ
Eriksson, LA
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