Publicaciones en colaboración con investigadores/as de Universidad de Guanajuato (5)

2016

  1. Electron correlation in the interacting quantum atoms partition via coupled-cluster lagrangian densities

    Journal of Computational Chemistry, pp. 1753-1765

  2. Hydrogen bond cooperativity and anticooperativity within the water hexamer

    Physical Chemistry Chemical Physics, Vol. 18, Núm. 29, pp. 19557-19566

2015

  1. Dynamical correlation within the Interacting Quantum Atoms method through coupled cluster theory

    Computational and Theoretical Chemistry, Vol. 1053, pp. 90-95

2013

  1. Chemical interactions and spin structure in (O2)4: Implications for the ε-O2 phase

    Journal of Chemical Theory and Computation, Vol. 9, Núm. 5, pp. 2179-2188

  2. Hydrogen-bond cooperative effects in small cyclic water clusters as revealed by the interacting quantum atoms approach

    Chemistry - A European Journal, Vol. 19, Núm. 42, pp. 14304-14315