Prediction of spin-spin coupling constants in solution based on combined density functional theory/molecular mechanics

Andreas Møgelhøj, Kestutis Aidas, Kurt V. Mikkelsen, Stephan P. A. Sauer, Jacob Kongsted
  • The Journal of Chemical Physics, April 2009, American Institute of Physics
  • DOI: 10.1063/1.3098255

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http://dx.doi.org/10.1063/1.3098255

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