Publicaciones en colaboración con investigadoras/es de Max Planck Institute for Chemical Energy Conversion (2)

2015

  1. Electronic structure of Ni2E2 complexes (E = S, Se, Te) and a global analysis of M2E2 compounds: A case for quantized E2n - oxidation levels with n = 2, 3, or 4

    Journal of the American Chemical Society, Vol. 137, Núm. 15, pp. 4993-5011

  2. Identification of mutational hot spots for substrate diffusion: Application to myoglobin

    Journal of Chemical Theory and Computation, Vol. 11, Núm. 4, pp. 1919-1927