On the Accuracy of Density Functional Theory to Predict Shifts in Nuclear Magnetic Resonance Shielding Constants due to Hydrogen Bonding

Jacob Kongsted, Kestutis Aidas, Kurt V. Mikkelsen, Stephan P. A. Sauer
  • Journal of Chemical Theory and Computation, February 2008, American Chemical Society (ACS)
  • DOI: 10.1021/ct700285j

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http://dx.doi.org/10.1021/ct700285j

The following have contributed to this page: Dr Stephan P. A. Sauer and Kestutis Aidas