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Published in 2018 at "Applied Organometallic Chemistry"
DOI: 10.1002/aoc.4070
Abstract: The interactions of the nucleobases thymine (C5H6N2O2) and uracil (C4H4N2O2) with Cr-doped C20 fullerene (C19Cr) are investigated by performing density functional theory calculations. The adsorption of these nucleobases on C19Cr leads to two distinct geometries…
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Keywords:
density functional;
thymine uracil;
theory calculations;
geometry ... See more keywords