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A theoretical study...
A theoretical study of 5-halouracils: electron affinities, ionization potentials and dissociation of the related anions
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- Wetmore, SD (author)
- Uppsala universitet,Institutionen för naturvetenskaplig biokemi
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Boyd, RJ (author)
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Eriksson, LA (author)
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(creator_code:org_t)
- ELSEVIER SCIENCE BV, 2001
- 2001
- English.
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In: CHEMICAL PHYSICS LETTERS. - : ELSEVIER SCIENCE BV. - 0009-2614. ; 343:1-2, s. 151-158
- Related links:
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https://urn.kb.se/re...
Abstract
Subject headings
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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
Publication and Content Type
- ref (subject category)
- art (subject category)
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