Is there an iceberg effect in the water/DMSO mixture? Some information from computational chemistry
MetadataShow full item record
The deuteron quadrupole coupling constant of heavy water in a mixture with DMSO measured by Gordalla and Zeidler shows an unexpected behaviour. A completely different evaluation from computational methods with independent approximations does not reproduce this finding. A critical discussion of all approximations and uncertainties of the computational method is given using the limited results available for this system and results from studies on pure water.
Journal of Molecular Liquids
© 2002 Elsevier : Reproduced in accordance with the copyright policy of the publisher : This journal is available online - use hypertext links.