Erroneous behaviour of the widely used MP2(full)/aug-cc-pVXZ (X=D,T) level of theory for evaluating the BSSE in ion–π complexes

  • Carolina Estarellas, Xavier Lucas, Antonio Frontera, David Quiñonero, Pere M. Deyà
  • Chemical Physics Letters, April 2010, Elsevier
  • DOI: 10.1016/j.cplett.2010.03.004

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http://dx.doi.org/10.1016/j.cplett.2010.03.004

The following have contributed to this page: Dr Antonio Frontera