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International Journal of Molecular Sciences, Volume 1, Issue 2

2000 June - 1 articles

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Articles (1)

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  • Open Access
62 Citations
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Modeling of the Hydration Shell of Uracil and Thymine

  • Oleg V. Shishkin,
  • Leonid Gorb and
  • Jerzy Leszczynski
Int. J. Mol. Sci.2000, 1(2), 17-27;https://doi.org/10.3390/ijms1020017

4 March 2000

The molecular geometry of complexes of uracil and thymine with 11 water molecules was calculated using the density functional theory with the B3LYP functional. The standard 6-31G(d) basis set has been employed. It was found that the arrangement of wa...

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Int. J. Mol. Sci. - ISSN 1422-0067
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