Is there an iceberg effect in the water/DMSO mixture? Some information from computational chemistry

作者: Hanspeter Huber , Barbara Kirchner , Debra J Searles , None

DOI: 10.1016/S0167-7322(01)00310-5

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摘要: 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 independent approximations does not reproduce this finding. critical discussion all uncertainties the method is given using limited results available for system studies on pure water.

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