DNA-conducting polymer complexes: a computational study of the hydrogen bond between building blocks.


Ab initio quantum mechanical calculations at the MP2 level were used for an extensive study concerning the stability of hydrogen-bonded complexes formed by pyrrole and thiophene, which are the most common building blocks of conducting polymers, and DNA bases. Results indicated that very stable complexes were formed with pyrrole, which shows a clear tendency… (More)
DOI: 10.1021/jp711010t

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