Publicaciones en colaboración con investigadores/as de Fudan University (2)

2016

  1. Benchmarking Density Functionals on Structural Parameters of Small-/Medium-Sized Organic Molecules

    Journal of Chemical Theory and Computation, Vol. 12, Núm. 2, pp. 459-465

2015

  1. Double hybrid functionals and the π-system bond length alternation challenge: Rivaling accuracy of Post-HF methods

    Journal of Chemical Theory and Computation, Vol. 11, Núm. 2, pp. 832-838