Density Functional Calculations of E2 and S N 2 Reactions: Effects of the Choice of Method, Algorithm, and Numerical Accuracy

Marcel Swart, Miquel Solà, F. Matthias Bickelhaupt
  • Journal of Chemical Theory and Computation, October 2010, American Chemical Society (ACS)
  • DOI: 10.1021/ct100454c

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The following have contributed to this page: Professor Marcel Swart, Professor Matthias Bickelhaupt, and Prof. Dr. Miquel Solà