Effect of the Exchange-Correlation Potential on the Transferability of Brønsted–Evans–Polanyi Relationships in Heterogeneous Catalysis

José L. C. Fajín, Francesc Viñes, M. Natália D. S. Cordeiro, Francesc Illas, José R. B. Gomes
  • Journal of Chemical Theory and Computation, April 2016, American Chemical Society (ACS)
  • DOI: 10.1021/acs.jctc.6b00168

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http://dx.doi.org/10.1021/acs.jctc.6b00168

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